
 SMR000078105

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.5386    0.7880    0.2688 C   0  0  0  0  0
    3.0119    0.6126    0.2870 C   0  0  0  0  0
    3.9702    1.6088    0.2435 C   0  0  0  0  0
    5.5386    0.9146    0.3104 S   0  0  0  0  0
    4.8256   -0.6358    0.3644 C   0  0  0  0  0
    3.5202   -0.6743    0.3505 N   0  0  0  0  0
    5.7278   -1.6555    0.4077 N   0  0  0  0  0
    5.3662   -2.9866    0.3712 C   0  0  0  0  0
    4.2070   -3.3919    0.3174 O   0  0  0  0  0
    6.4970   -3.9180    0.3638 C   0  0  0  0  0
    6.4653   -5.2848    0.1352 C   0  0  0  0  0
    7.7600   -5.8990    0.1786 C   0  0  0  0  0
    8.7378   -4.9513    0.4444 C   0  0  0  0  0
    8.1028   -3.3896    0.6626 S   0  0  0  0  0
   10.0667   -5.1573    0.5238 N   0  0  0  0  0
   10.4601   -6.4355    0.3175 C   0  0  0  0  0
    9.5774   -7.4802    0.0576 C   0  0  0  0  0
    8.2072   -7.2216   -0.0125 C   0  0  0  0  0
   11.9269   -6.6004    0.3379 C   0  0  0  0  0
   12.8936   -5.6134    0.2125 C   0  0  0  0  0
   14.2238   -6.1210    0.2464 C   0  0  0  0  0
   14.2445   -7.4847    0.4180 C   0  0  0  0  0
   12.6716   -8.1379    0.5405 S   0  0  0  0  0
    5.3296   -5.9646   -0.1350 N   0  0  0  0  0
    1.2615    1.8462    0.3037 H   0  0  0  0  0
    1.0877    0.2894    1.1325 H   0  0  0  0  0
    1.1169    0.3523   -0.6419 H   0  0  0  0  0
    3.8285    2.6783    0.1834 H   0  0  0  0  0
    6.7046   -1.4061    0.4197 H   0  0  0  0  0
    9.9279   -8.4915   -0.1197 H   0  0  0  0  0
    7.5074   -8.0211   -0.2329 H   0  0  0  0  0
   12.6460   -4.5653    0.0862 H   0  0  0  0  0
   15.1162   -5.5146    0.1499 H   0  0  0  0  0
   15.1093   -8.1309    0.4806 H   0  0  0  0  0
    5.2730   -6.9738   -0.2101 H   0  0  0  0  0
    4.4189   -5.4957   -0.0851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 32  1  0  0  0
 21 22  2  0  0  0
 21 33  1  0  0  0
 22 23  1  0  0  0
 22 34  1  0  0  0
 24 35  1  0  0  0
 24 36  1  0  0  0
M  END

>  <Chemical Name>
SMR000078105

>  <PubChem CID>
1596915

>  <Formula>
C16H12N4OS3

>  <Molecular Weight>
372.479000

>  <IUPAC Name>
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CSC(=N1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N

>  <Isomeric SMILES>
CC1=CSC(=N1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N

>  <InChI Std. ID>
InChI=1S/C16H12N4OS3/c1-8-7-23-16(18-8)20-14(21)13-12(17)9-4-5-10(19-15(9)24-13)11-3-2-6-22-11/h2-7H,17H2,1H3,(H,18,20,21)

>  <InChI Key>
FMKRJNAUBWDCBD-UHFFFAOYSA-N

