
 MLS001180182

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.9460   -0.0832   -1.8139 C   0  0  0  0  0
    2.3663    0.0025   -1.3440 C   0  0  0  0  0
    2.9401    1.2365   -1.0211 C   0  0  0  0  0
    4.2753    1.3120   -0.6320 C   0  0  0  0  0
    5.0451    0.2029   -0.5624 N   0  0  0  0  0
    4.4784   -0.9848   -0.8737 C   0  0  0  0  0
    3.1613   -1.1354   -1.2702 C   0  0  0  0  0
    4.9330    2.5002   -0.3319 N   0  0  0  0  0
    4.4548    3.7571   -0.2728 C   0  0  0  0  0
    3.1968    4.1205   -0.1465 N   0  0  0  0  0
    3.0649    5.4970   -0.1566 C   0  0  0  0  0
    4.2522    6.1832   -0.3044 C   0  0  0  0  0
    5.5626    5.0817   -0.3495 S   0  0  0  0  0
    1.7233    6.1568   -0.0263 C   0  0  0  0  0
    0.5278    5.5183    0.2702 C   0  0  0  0  0
   -0.5818    6.3561    0.3142 N   0  0  0  0  0
   -0.2270    7.5962    0.0663 C   0  0  0  0  0
    1.4449    7.8389   -0.2149 S   0  0  0  0  0
   -1.1803    8.7382    0.0325 C   0  0  0  0  0
    0.3025    4.0779    0.5663 C   0  0  0  0  0
    0.4010    0.8449   -1.6098 H   0  0  0  0  0
    0.4198   -0.8932   -1.2987 H   0  0  0  0  0
    0.9189   -0.2655   -2.8931 H   0  0  0  0  0
    2.3413    2.1347   -1.1071 H   0  0  0  0  0
    5.1389   -1.8438   -0.8002 H   0  0  0  0  0
    2.7728   -2.1160   -1.5209 H   0  0  0  0  0
    5.9204    2.3264   -0.2013 H   0  0  0  0  0
    4.4258    7.2480   -0.3559 H   0  0  0  0  0
   -0.7040    9.6745   -0.2746 H   0  0  0  0  0
   -1.6189    8.8872    1.0242 H   0  0  0  0  0
   -1.9914    8.5252   -0.6713 H   0  0  0  0  0
    0.5914    3.4561   -0.2840 H   0  0  0  0  0
   -0.7563    3.8840    0.7685 H   0  0  0  0  0
    0.8715    3.7711    1.4500 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 19 29  1  0  0  0
 19 30  1  0  0  0
 19 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
MLS001180182

>  <PubChem CID>
2877322

>  <Formula>
C14H14N4S2

>  <Molecular Weight>
302.414000

>  <IUPAC Name>
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methylpyridin-2-yl)-1,3-thiazol-2-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC=C1)NC2=NC(=CS2)C3=C(N=C(S3)C)C

>  <Isomeric SMILES>
CC1=CC(=NC=C1)NC2=NC(=CS2)C3=C(N=C(S3)C)C

>  <InChI Std. ID>
InChI=1S/C14H14N4S2/c1-8-4-5-15-12(6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13/h4-7H,1-3H3,(H,15,17,18)

>  <InChI Key>
GSIAWGVMMLXTJT-UHFFFAOYSA-N

