
 CHEMBL611647

 34 35  0  0  0  0  0  0  0  0999 V2000
   -0.4102   -1.0394    0.1333 C   0  0  0  0  0
    1.0412   -1.0431    0.6332 C   0  0  0  0  0
    1.9723   -1.0960   -0.5877 C   0  0  0  0  0
    1.3616    0.1944    1.5248 C   0  0  0  0  0
    0.3862    0.3613    2.6865 C   0  0  0  0  0
    0.2337   -0.6468    3.6534 C   0  0  0  0  0
   -0.6898   -0.5063    4.6912 C   0  0  0  0  0
   -1.4616    0.6486    4.7774 C   0  0  0  0  0
   -1.3129    1.6663    3.8376 C   0  0  0  0  0
   -0.3929    1.5245    2.7951 C   0  0  0  0  0
   -2.6095    0.8189    6.0475 Cl  0  0  0  0  0
    2.8068    0.1275    2.0673 C   0  0  0  0  0
    3.3092   -0.9402    2.4070 O   0  0  0  0  0
    3.4018    1.3705    2.1252 N   0  0  0  0  0
    4.7048    1.5409    2.4994 C   0  0  0  0  0
    5.5925    0.6564    2.8711 N   0  0  0  0  0
    6.7902    1.2884    3.1333 C   0  0  0  0  0
    6.7944    2.6542    2.9415 C   0  0  0  0  0
    5.2363    3.1651    2.4346 S   0  0  0  0  0
   -1.1221   -1.1364    0.9584 H   0  0  0  0  0
   -0.5885   -1.8824   -0.5436 H   0  0  0  0  0
   -0.6396   -0.1164   -0.4100 H   0  0  0  0  0
    1.1962   -1.9659    1.2074 H   0  0  0  0  0
    1.8366   -0.2169   -1.2267 H   0  0  0  0  0
    1.7648   -1.9868   -1.1914 H   0  0  0  0  0
    3.0252   -1.1425   -0.2949 H   0  0  0  0  0
    1.2888    1.0819    0.8789 H   0  0  0  0  0
    0.8321   -1.5565    3.6018 H   0  0  0  0  0
   -0.8015   -1.3018    5.4228 H   0  0  0  0  0
   -1.9164    2.5675    3.9070 H   0  0  0  0  0
   -0.3054    2.3240    2.0634 H   0  0  0  0  0
    2.8954    2.2030    1.8753 H   0  0  0  0  0
    7.6382    0.6986    3.4607 H   0  0  0  0  0
    7.6097    3.3512    3.0742 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 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 32  1  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>
CHEMBL611647

>  <PubChem CID>
854190

>  <Formula>
C14H15ClN2OS

>  <Molecular Weight>
294.797000

>  <IUPAC Name>
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m1/s1

>  <InChI Key>
AZYDQCGCBQYFSE-GFCCVEGCSA-N

