47205103
  -OEChem-05112401592D

 32 34  0     0  0  0  0  0  0999 V2000
    9.2665    0.9120    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8356   -1.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    1.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.0120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7665   -0.6269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -0.5789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.5789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755   -0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2665    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3356    0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1446   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8356   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179   -0.7298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2975   -0.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577    1.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833   -0.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021    1.4136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.5799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -1.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3356    0.8597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7343   -0.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -1.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  2  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
47205103

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
344

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABAAAAAAAAAAAAAAAAAAWLEgAAAAAAAAAAAAAAB+AAAHgQYAAAACAzl1ga8hZLrFEiuAb131ASS/KBnqjgYubW+bNgOZrqk9fuXnSjk3hG46YaYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(2-furyl)thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(2-furanyl)-4-thiazolyl]-N-(1H-pyrazol-5-ylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-<I>N</I>-(1<I>H</I>-pyrazol-5-ylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-(2-furyl)thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N4O2S/c18-12(14-7-9-3-4-15-17-9)6-10-8-20-13(16-10)11-2-1-5-19-11/h1-5,8H,6-7H2,(H,14,18)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
LEOMPCCDMIDMRI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
288.06809681

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N4O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
288.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=NN3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=NN3

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.06809681

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  13  8
1  14  8
10  14  8
12  16  8
15  17  8
16  18  8
17  19  8
19  20  8
2  15  8
2  20  8
5  10  8
5  13  8
6  12  8
6  7  8
7  18  8

$$$$