2526172
  -OEChem-06192423162D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000   -3.9239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.1149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.1639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119    4.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459    4.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087    3.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2526172

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
277

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIABEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgYQAAAADAuF3kCywZLIEAisAyVyVACC8KBhCjgIiDQwZJhIIKLgkZHEIAhglADoyAcQgIAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[3-(2-methylthiazol-4-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[3-(2-methyl-4-thiazolyl)phenyl]acetamide

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

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[3-(2-methylthiazol-4-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11ClN2OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6H2,1H3,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
ZFQCNRJGUFAUAP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
266.0280618

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11ClN2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
266.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
70.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.0280618

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  12  8
11  12  8
2  13  8
2  14  8
5  14  8
5  8  8
6  10  8
6  9  8
7  11  8
7  9  8
8  13  8

$$$$
