
 CHEMBL594974

 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.9990   -0.2416   -0.1404 C   0  0  0  0  0
   -1.4482    0.7200    0.9415 C   0  0  0  0  0
   -0.1972    1.5486    1.1980 C   0  0  0  0  0
    1.0015    0.5627    1.0547 C   0  0  0  0  0
    0.3962   -0.6632    0.3097 C   0  0  0  0  0
    1.5990    0.0570    2.3836 C   0  0  0  0  0
    2.9064   -0.4692    2.4137 C   0  0  0  0  0
    3.4651   -0.9530    3.6006 C   0  0  0  0  0
    2.7161   -0.9452    4.7718 C   0  0  0  0  0
    1.4126   -0.4614    4.7634 C   0  0  0  0  0
    0.8577    0.0322    3.5781 C   0  0  0  0  0
    3.3961   -1.5490    6.2311 Cl  0  0  0  0  0
    2.0675    1.2989    0.1876 C   0  0  0  0  0
    2.3112    0.9621   -0.9660 O   0  0  0  0  0
    2.6529    2.3573    0.8631 N   0  0  0  0  0
    3.6228    3.1409    0.3073 C   0  0  0  0  0
    4.1072    3.1376   -0.9092 N   0  0  0  0  0
    5.0870    4.1091   -1.0074 C   0  0  0  0  0
    5.3125    4.8162    0.1467 C   0  0  0  0  0
    4.2875    4.2881    1.3917 S   0  0  0  0  0
    6.1979    5.7695    0.2656 F   0  0  0  0  0
   -1.6752   -1.0955   -0.2421 H   0  0  0  0  0
   -0.9459    0.2704   -1.1081 H   0  0  0  0  0
   -1.7451    0.1723    1.8426 H   0  0  0  0  0
   -2.2940    1.3367    0.6242 H   0  0  0  0  0
   -0.1508    2.3299    0.4265 H   0  0  0  0  0
   -0.2374    2.0741    2.1568 H   0  0  0  0  0
    0.9911   -1.0071   -0.5426 H   0  0  0  0  0
    0.2917   -1.5271    0.9799 H   0  0  0  0  0
    3.5101   -0.5193    1.5070 H   0  0  0  0  0
    4.4792   -1.3447    3.5981 H   0  0  0  0  0
    0.8157   -0.4751    5.6720 H   0  0  0  0  0
   -0.1740    0.3731    3.6135 H   0  0  0  0  0
    2.4418    2.5203    1.8372 H   0  0  0  0  0
    5.6047    4.2550   -1.9464 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL594974

>  <PubChem CID>
46226361

>  <Formula>
C15H14ClFN2OS

>  <Molecular Weight>
324.798000

>  <IUPAC Name>
1-(4-chlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <Isomeric SMILES>
C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <InChI Std. ID>
InChI=1S/C15H14ClFN2OS/c16-11-5-3-10(4-6-11)15(7-1-2-8-15)13(20)19-14-18-9-12(17)21-14/h3-6,9H,1-2,7-8H2,(H,18,19,20)

>  <InChI Key>
CTGZTILKRROOMM-UHFFFAOYSA-N

