7064095
  -OEChem-05082412062D

 27 28  0     0  0  0  0  0  0999 V2000
    9.2665    1.1133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7665   -0.4255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266   -0.1468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2665    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284    0.7097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488    0.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -1.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -1.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -1.1133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021    1.6149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -1.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9873    0.2681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6555   -0.7532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7064095

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAAB4AAAHgQQAAAACAzF1gSzlZLIFEisAaVydASC+KlnKjkIiLW+LNiOJrKktTuHOSjk1hOYqaeY2QMQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[5-(2-aminothiazol-4-yl)-2-furyl]methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[5-(2-amino-4-thiazolyl)-2-furanyl]methyl]acetamide

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

> <PUBCHEM_IUPAC_NAME>
N-[[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[5-(2-azanyl-1,3-thiazol-4-yl)furan-2-yl]methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[5-(2-aminothiazol-4-yl)-2-furyl]methyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11N3O2S/c1-6(14)12-4-7-2-3-9(15-7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)

> <PUBCHEM_IUPAC_INCHIKEY>
HMOORGLQDZENJJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
237.05719778

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
237.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.05719778

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  15  8
10  11  8
12  13  8
2  7  8
2  9  8
5  12  8
5  15  8
7  10  8
9  11  8

$$$$