2768203
  -OEChem-04262400242D

 22 23  0     0  0  0  0  0  0999 V2000
    4.3794   -0.5320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    0.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    0.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    2.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    3.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -1.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.8228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -2.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    0.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2768203

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
222

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgQAAAAACAzB1gQ+gZIIEAisAbR3RACC8KB1CjhI2C04ZNgIYOrgkZGUIIhggADoyMcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2-pyridyl)thiazol-5-yl]ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2-pyridinyl)-5-thiazolyl]ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone

> <PUBCHEM_IUPAC_NAME>
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2-pyridyl)thiazol-5-yl]ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8N2OS/c1-7(13)9-6-12-10(14-9)8-4-2-3-5-11-8/h2-6H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
UCSRGSZNLJYPSP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
204.03573406

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8N2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
204.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CN=C(S1)C2=CC=CC=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CN=C(S1)C2=CC=CC=N2

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.03573406

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  5  8
1  7  8
11  13  8
13  14  8
3  5  8
3  8  8
4  14  8
4  6  8
6  9  8
7  8  8
9  11  8

$$$$