
 CHEMBL205195

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.6689    1.3725    0.0893 C   0  0  0  0  0
    2.6954   -0.0079    0.2158 C   0  0  0  0  0
    1.5026   -0.7367    0.1725 C   0  0  0  0  0
    0.2375   -0.1118    0.0091 C   0  0  0  0  0
    0.2435    1.3044   -0.1242 C   0  0  0  0  0
    1.4507    2.0225   -0.0823 C   0  0  0  0  0
   -0.9568    1.9999   -0.3053 C   0  0  0  0  0
   -2.1662    1.3220   -0.3591 C   0  0  0  0  0
   -2.1922   -0.0640   -0.2291 C   0  0  0  0  0
   -1.0182   -0.8103   -0.0325 C   0  0  0  0  0
   -1.0502   -2.2247    0.0645 N   0  0  0  0  0
   -2.0751   -3.0902   -0.1254 C   0  0  0  0  0
   -3.2960   -2.8244   -0.5342 N   0  0  0  0  0
   -4.0683   -3.9765   -0.6064 C   0  0  0  0  0
   -3.4005   -5.1347   -0.2651 C   0  0  0  0  0
   -1.7905   -4.7731    0.1776 S   0  0  0  0  0
   -5.4889   -3.8587   -1.0528 C   0  0  0  0  0
   -5.5249   -3.9121   -2.5112 N   0  0  0  0  0
    3.5931    1.9442    0.1190 H   0  0  0  0  0
    3.6432   -0.5240    0.3451 H   0  0  0  0  0
    1.5904   -1.8139    0.2637 H   0  0  0  0  0
    1.4497    3.1058   -0.1865 H   0  0  0  0  0
   -0.9600    3.0823   -0.4114 H   0  0  0  0  0
   -3.0946    1.8691   -0.5036 H   0  0  0  0  0
   -3.1633   -0.5474   -0.2708 H   0  0  0  0  0
   -0.2008   -2.6381    0.4171 H   0  0  0  0  0
   -3.7765   -6.1475   -0.2639 H   0  0  0  0  0
   -5.9089   -2.9089   -0.7041 H   0  0  0  0  0
   -6.0965   -4.6683   -0.6352 H   0  0  0  0  0
   -4.8848   -3.1953   -2.8593 H   0  0  0  0  0
   -6.4514   -3.6337   -2.8259 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 17 18  1  0  0  0
 17 28  1  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL205195

>  <PubChem CID>
44410964

>  <Formula>
C14H13N3S

>  <Molecular Weight>
255.339000

>  <IUPAC Name>
4-(aminomethyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)CN

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)CN

>  <InChI Std. ID>
InChI=1S/C14H13N3S/c15-8-11-9-18-14(16-11)17-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8,15H2,(H,16,17)

>  <InChI Key>
CZMREIBAMCZGIT-UHFFFAOYSA-N

