
 MTEP

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.9125    0.1578    0.0053 C   0  0  0  0  0
    2.3964    0.0461    0.0186 C   0  0  0  0  0
    3.2229    1.0715    0.0282 N   0  0  0  0  0
    4.5203    0.6103    0.0342 C   0  0  0  0  0
    4.6792   -0.7567    0.0308 C   0  0  0  0  0
    3.1384   -1.5081    0.0189 S   0  0  0  0  0
    5.5872    1.5527    0.0347 C   0  0  0  0  0
    6.5075    2.3267    0.0237 C   0  0  0  0  0
    7.6197    3.2205   -0.0042 C   0  0  0  0  0
    7.4458    4.5942    0.0988 C   0  0  0  0  0
    8.4640    5.4893    0.0705 N   0  0  0  0  0
    9.7096    4.9846   -0.0678 C   0  0  0  0  0
    9.9845    3.6303   -0.1769 C   0  0  0  0  0
    8.9181    2.7346   -0.1437 C   0  0  0  0  0
    0.6073    1.2089    0.0139 H   0  0  0  0  0
    0.4777   -0.3270    0.8852 H   0  0  0  0  0
    0.4962   -0.3069   -0.8942 H   0  0  0  0  0
    5.5927   -1.3329    0.0325 H   0  0  0  0  0
    6.4571    5.0320    0.2087 H   0  0  0  0  0
   10.5079    5.7212   -0.0903 H   0  0  0  0  0
   11.0048    3.2803   -0.2866 H   0  0  0  0  0
    9.1052    1.6677   -0.2286 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  2  0  0  0
 13 21  1  0  0  0
 14 22  1  0  0  0
M  END

>  <Chemical Name>
MTEP

>  <PubChem CID>
9794218

>  <Formula>
C11H8N2S

>  <Molecular Weight>
200.259000

>  <IUPAC Name>
2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=CS1)C#CC2=CN=CC=C2

>  <Isomeric SMILES>
CC1=NC(=CS1)C#CC2=CN=CC=C2

>  <InChI Std. ID>
InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3

>  <InChI Key>
NRBNGHCYDWUVLC-UHFFFAOYSA-N

