
 CHEMBL206789

 38 39  0  0  0  0  0  0  0  0999 V2000
    4.5439    2.4505   -0.6671 C   0  0  0  0  0
    3.7574    1.2109   -0.3324 C   0  0  0  0  0
    4.3674   -0.0660   -0.2306 C   0  0  0  0  0
    3.5816   -1.2007    0.1113 C   0  0  0  0  0
    2.1968   -1.0309    0.2646 C   0  0  0  0  0
    1.5962    0.2195    0.1358 C   0  0  0  0  0
    2.3719    1.3331   -0.1572 C   0  0  0  0  0
    4.1840   -2.4745    0.2133 N   0  0  0  0  0
    3.6186   -3.6914    0.0364 C   0  0  0  0  0
    2.3912   -3.9515   -0.3529 N   0  0  0  0  0
    2.1621   -5.3126   -0.4751 C   0  0  0  0  0
    3.2621   -6.0919   -0.1633 C   0  0  0  0  0
    4.5830   -5.1038    0.2876 S   0  0  0  0  0
    0.7931   -5.7982   -0.9274 C   0  0  0  0  0
    0.1815   -6.7304    0.1368 C   0  0  0  0  0
   -0.1797   -4.6187   -1.1427 C   0  0  0  0  0
    0.9166   -6.5632   -2.2596 C   0  0  0  0  0
    5.8549   -0.2109   -0.4535 C   0  0  0  0  0
    5.4134    2.5453   -0.0088 H   0  0  0  0  0
    3.9425    3.3564   -0.5337 H   0  0  0  0  0
    4.8719    2.4179   -1.7111 H   0  0  0  0  0
    1.5597   -1.8763    0.5118 H   0  0  0  0  0
    0.5222    0.3189    0.2672 H   0  0  0  0  0
    1.8856    2.3015   -0.2527 H   0  0  0  0  0
    5.1638   -2.4601    0.4553 H   0  0  0  0  0
    3.3505   -7.1679   -0.1826 H   0  0  0  0  0
    0.7964   -7.6243    0.2925 H   0  0  0  0  0
   -0.8189   -7.0669   -0.1583 H   0  0  0  0  0
    0.0925   -6.2212    1.1037 H   0  0  0  0  0
    0.1917   -3.9290   -1.9100 H   0  0  0  0  0
   -0.3196   -4.0428   -0.2203 H   0  0  0  0  0
   -1.1660   -4.9707   -1.4655 H   0  0  0  0  0
    1.3586   -5.9312   -3.0389 H   0  0  0  0  0
   -0.0635   -6.8990   -2.6166 H   0  0  0  0  0
    1.5520   -7.4506   -2.1581 H   0  0  0  0  0
    6.2596    0.5830   -1.0873 H   0  0  0  0  0
    6.0903   -1.1441   -0.9758 H   0  0  0  0  0
    6.3777   -0.1924    0.5080 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  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 26  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL206789

>  <PubChem CID>
9856506

>  <Formula>
C15H20N2S

>  <Molecular Weight>
260.399000

>  <IUPAC Name>
4-tert-butyl-N-(2,3-dimethylphenyl)-1,3-thiazol-2-amine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C15H20N2S/c1-10-7-6-8-12(11(10)2)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17)

>  <InChI Key>
DNOVKAUCGLWSEE-UHFFFAOYSA-N

