
 CHEMBL594761

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.8881   -0.5141   -0.0227 C   0  0  0  0  0
    2.3429   -0.1802   -0.3844 C   0  0  0  0  0
    2.6092   -0.4839   -1.8548 C   0  0  0  0  0
    3.5720   -1.4394   -2.2139 C   0  0  0  0  0
    3.8358   -1.7179   -3.5572 C   0  0  0  0  0
    3.1306   -1.0496   -4.5543 C   0  0  0  0  0
    2.1673   -0.1022   -4.2198 C   0  0  0  0  0
    1.9106    0.1824   -2.8762 C   0  0  0  0  0
    3.4539   -1.3946   -6.2089 Cl  0  0  0  0  0
    2.6470    1.2885   -0.0574 C   0  0  0  0  0
    1.7521    2.1434   -0.0682 O   0  0  0  0  0
    3.9115    1.7265    0.1959 N   0  0  0  0  0
    5.0418    0.9842    0.3482 C   0  0  0  0  0
    5.2002   -0.3132    0.3410 N   0  0  0  0  0
    6.5339   -0.6127    0.5485 C   0  0  0  0  0
    7.3662    0.4735    0.7186 C   0  0  0  0  0
    6.4477    1.9179    0.6212 S   0  0  0  0  0
    0.6984   -0.3018    1.0359 H   0  0  0  0  0
    0.6768   -1.5755   -0.1973 H   0  0  0  0  0
    0.1650    0.0690   -0.6043 H   0  0  0  0  0
    2.9478   -0.8267    0.2565 H   0  0  0  0  0
    4.1330   -1.9692   -1.4466 H   0  0  0  0  0
    4.5915   -2.4542   -3.8158 H   0  0  0  0  0
    1.6139    0.4200   -4.9956 H   0  0  0  0  0
    1.1594    0.9326   -2.6332 H   0  0  0  0  0
    4.0007    2.7249    0.3188 H   0  0  0  0  0
    6.8479   -1.6491    0.5673 H   0  0  0  0  0
    8.4324    0.4851    0.8921 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8 25  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL594761

>  <PubChem CID>
46226333

>  <Formula>
C12H11ClN2OS

>  <Molecular Weight>
266.743000

>  <IUPAC Name>
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

>  <InChI Std. ID>
InChI=1S/C12H11ClN2OS/c1-8(9-2-4-10(13)5-3-9)11(16)15-12-14-6-7-17-12/h2-8H,1H3,(H,14,15,16)/t8-/m0/s1

>  <InChI Key>
BUUYHTPGJCUOIM-QMMMGPOBSA-N

