
 CHEMBL207801

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.9512    2.0614   -0.5073 C   0  0  0  0  0
    8.2762    0.7840   -0.8466 C   0  0  0  0  0
    8.5561   -0.0445   -1.9109 C   0  0  0  0  0
    7.5408   -1.4167   -1.8678 S   0  0  0  0  0
    6.8087   -0.8462   -0.3957 C   0  0  0  0  0
    7.2564    0.3399   -0.0244 N   0  0  0  0  0
    5.8466   -1.5351    0.3004 N   0  0  0  0  0
    4.7957   -0.7233    0.9100 C   0  0  0  0  0
    5.5732   -2.9209    0.1398 C   0  0  0  0  0
    4.2915   -3.3418   -0.2671 C   0  0  0  0  0
    4.0016   -4.6880   -0.4728 C   0  0  0  0  0
    4.9915   -5.6459   -0.2890 C   0  0  0  0  0
    6.2775   -5.2800    0.1281 C   0  0  0  0  0
    7.2606   -6.2679    0.3073 C   0  0  0  0  0
    8.5405   -5.9403    0.7495 C   0  0  0  0  0
    8.8461   -4.6198    1.0435 C   0  0  0  0  0
    7.8773   -3.6285    0.8719 C   0  0  0  0  0
    6.5805   -3.9149    0.3759 C   0  0  0  0  0
    9.7011    2.3299   -1.2576 H   0  0  0  0  0
    9.4540    1.9747    0.4616 H   0  0  0  0  0
    8.2204    2.8730   -0.4463 H   0  0  0  0  0
    9.2934    0.0833   -2.6896 H   0  0  0  0  0
    5.2059    0.1534    1.4244 H   0  0  0  0  0
    4.2359   -1.2853    1.6669 H   0  0  0  0  0
    4.0914   -0.3662    0.1488 H   0  0  0  0  0
    3.5063   -2.6157   -0.4593 H   0  0  0  0  0
    3.0070   -4.9880   -0.7915 H   0  0  0  0  0
    4.7482   -6.6911   -0.4686 H   0  0  0  0  0
    7.0339   -7.3122    0.1017 H   0  0  0  0  0
    9.2907   -6.7157    0.8753 H   0  0  0  0  0
    9.8347   -4.3533    1.4070 H   0  0  0  0  0
    8.1486   -2.6082    1.1363 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  6  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL207801

>  <PubChem CID>
44411271

>  <Formula>
C15H14N2S

>  <Molecular Weight>
254.351000

>  <IUPAC Name>
N,4-dimethyl-N-naphthalen-1-yl-1,3-thiazol-2-amine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CSC(=N1)N(C)C2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
CC1=CSC(=N1)N(C)C2=CC=CC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C15H14N2S/c1-11-10-18-15(16-11)17(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3

>  <InChI Key>
FEDHPKYCNPWZMO-UHFFFAOYSA-N

