53347949
  -OEChem-05102413032D

 42 45  0     0  0  0  0  0  0999 V2000
    6.6595    2.1812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    2.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    2.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2865   -0.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8286    0.5720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    1.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3403   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5971   -1.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3403    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8701   -0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5756   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2865    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4742    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4742   -1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6082    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6082   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8863   -2.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    1.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9833   -1.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5766   -2.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4901   -0.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   -1.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5962   -1.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791    1.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4742    1.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4742   -1.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0713   -0.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2970   -3.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0789   -3.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4756   -2.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0984    2.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128    0.6443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    0.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438    0.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  2  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 39  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 18  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53347949

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB/gAAHgQQAAAADAzl3ga/1fPMFEisA7139AKC+Kl1KjkJ2DX+bNiOJvLkvb+HOSjswRPY6aeYl8IOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(1-propylindol-5-yl)thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(1-propyl-5-indolyl)-2-thiazolyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(1-propylindol-5-yl)thiazol-2-yl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17N3O2S/c1-2-8-22-9-7-14-11-13(5-6-16(14)22)15-12-25-19(20-15)21-18(23)17-4-3-10-24-17/h3-7,9-12H,2,8H2,1H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
GAIRLQDYPNXPGG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
351.10414797

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
351.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C=CC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C=CC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
88.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.10414797

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  19  8
1  20  8
10  12  8
13  15  8
14  16  8
15  16  8
17  19  8
2  22  8
2  25  8
22  23  8
23  24  8
24  25  8
4  10  8
4  7  8
5  17  8
5  20  8
7  14  8
7  9  8
9  12  8
9  13  8

$$$$