
 SCHEMBL6929110

 33 35  0  0  0  0  0  0  0  0999 V2000
   -1.4121   -0.1759   -0.0093 C   0  0  0  0  0
   -1.0656    1.1504   -0.2201 C   0  0  0  0  0
    0.1521    1.5552   -0.6427 N   0  0  0  0  0
    1.0600    0.5674   -0.8800 C   0  0  0  0  0
    0.7981   -0.7864   -0.7191 C   0  0  0  0  0
   -0.4534   -1.1575   -0.2439 C   0  0  0  0  0
   -0.8484   -2.4605   -0.0380 O   0  0  0  0  0
    0.1002   -3.3915    0.2816 C   0  0  0  0  0
    0.0886   -4.6143   -0.3524 C   0  0  0  0  0
    0.9782   -5.5998   -0.0988 N   0  0  0  0  0
    1.8936   -5.3272    0.8437 C   0  0  0  0  0
    1.9792   -4.1912    1.5548 N   0  0  0  0  0
    1.0619   -3.2450    1.2599 C   0  0  0  0  0
    2.4257    0.9882   -1.3171 C   0  0  0  0  0
    3.2798    0.1262   -1.4911 O   0  0  0  0  0
    2.5640    2.3445   -1.4790 N   0  0  0  0  0
    3.7618    2.9048   -1.8206 C   0  0  0  0  0
    4.9075    2.3094   -2.0184 N   0  0  0  0  0
    5.8893    3.2437   -2.3044 C   0  0  0  0  0
    5.4330    4.5494   -2.3537 C   0  0  0  0  0
    3.7513    4.5995   -1.9990 S   0  0  0  0  0
    7.2859    2.7740   -2.5206 C   0  0  0  0  0
    8.0767    3.1046   -1.4605 F   0  0  0  0  0
   -2.4084   -0.4384    0.3318 H   0  0  0  0  0
   -1.7867    1.9468   -0.0451 H   0  0  0  0  0
    1.5659   -1.5149   -0.9596 H   0  0  0  0  0
   -0.6514   -4.8457   -1.1125 H   0  0  0  0  0
    2.6302   -6.0955    1.0527 H   0  0  0  0  0
    1.1401   -2.3388    1.8527 H   0  0  0  0  0
    1.7646    2.9451   -1.3132 H   0  0  0  0  0
    5.9938    5.4494   -2.5616 H   0  0  0  0  0
    7.7181    3.2376   -3.4121 H   0  0  0  0  0
    7.3234    1.6872   -2.6440 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 13 29  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
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 17 18  2  0  0  0
 17 21  1  0  0  0
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 19 20  2  0  0  0
 19 22  1  0  0  0
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 22 33  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6929110

>  <PubChem CID>
51038608

>  <Formula>
C14H10FN5O2S

>  <Molecular Weight>
331.325000

>  <IUPAC Name>
N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CN=C(C=C1OC2=CN=CN=C2)C(=O)NC3=NC(=CS3)CF

>  <Isomeric SMILES>
C1=CN=C(C=C1OC2=CN=CN=C2)C(=O)NC3=NC(=CS3)CF

>  <InChI Std. ID>
InChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)

>  <InChI Key>
AHESFMTZWHPOII-UHFFFAOYSA-N

