
 CHEMBL593517

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.7671   -0.4165    0.3481 C   0  0  0  0  0
    2.2969   -0.3471    0.2283 C   0  0  0  0  0
    2.7091   -1.0127   -1.0914 C   0  0  0  0  0
    2.8130    1.1203    0.3339 C   0  0  0  0  0
    2.3951    1.8002    1.6329 C   0  0  0  0  0
    2.7326    1.2663    2.8888 C   0  0  0  0  0
    2.3067    1.8890    4.0652 C   0  0  0  0  0
    1.5464    3.0537    3.9969 C   0  0  0  0  0
    1.2160    3.6073    2.7629 C   0  0  0  0  0
    1.6423    2.9857    1.5863 C   0  0  0  0  0
    1.0093    3.8108    5.4455 Cl  0  0  0  0  0
    4.2585    1.2004    0.2116 N   0  0  0  0  0
    4.9083    1.4694   -0.9799 C   0  0  0  0  0
    4.2930    1.7103   -2.0160 O   0  0  0  0  0
    6.3646    1.4149   -0.8657 C   0  0  0  0  0
    6.9890    1.1515    0.2712 N   0  0  0  0  0
    8.3541    1.1625    0.0513 C   0  0  0  0  0
    8.7495    1.4215   -1.2436 C   0  0  0  0  0
    7.3706    1.6718   -2.2307 S   0  0  0  0  0
    0.4220   -0.0723    1.3277 H   0  0  0  0  0
    0.4139   -1.4465    0.2285 H   0  0  0  0  0
    0.2827    0.1972   -0.4193 H   0  0  0  0  0
    2.7271   -0.9479    1.0400 H   0  0  0  0  0
    2.3626   -0.4331   -1.9536 H   0  0  0  0  0
    2.2821   -2.0186   -1.1697 H   0  0  0  0  0
    3.7956   -1.1218   -1.1607 H   0  0  0  0  0
    2.3775    1.6812   -0.5037 H   0  0  0  0  0
    3.3210    0.3545    2.9625 H   0  0  0  0  0
    2.5666    1.4583    5.0285 H   0  0  0  0  0
    0.6249    4.5177    2.7077 H   0  0  0  0  0
    1.3734    3.4299    0.6294 H   0  0  0  0  0
    4.8515    1.0043    1.0119 H   0  0  0  0  0
    9.0270    0.9714    0.8788 H   0  0  0  0  0
    9.7508    1.4758   -1.6461 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL593517

>  <PubChem CID>
46225341

>  <Formula>
C14H15ClN2OS

>  <Molecular Weight>
294.797000

>  <IUPAC Name>
N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)NC(=O)C2=NC=CS2

>  <Isomeric SMILES>
CC(C)[C@@H](C1=CC=C(C=C1)Cl)NC(=O)C2=NC=CS2

>  <InChI Std. ID>
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)17-13(18)14-16-7-8-19-14/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1

>  <InChI Key>
ANKYYXZDVDOIMS-LBPRGKRZSA-N

