
 Amthamine

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2546    0.0587    0.0189 C   0  0  0  0  0
    2.7410    0.0717    0.0375 C   0  0  0  0  0
    3.5647    1.1850    0.0049 C   0  0  0  0  0
    5.2058    0.6846    0.0377 S   0  0  0  0  0
    4.7030   -0.9520    0.1069 C   0  0  0  0  0
    3.4085   -1.1418    0.0927 N   0  0  0  0  0
    5.5907   -1.9582    0.1516 N   0  0  0  0  0
    3.2057    2.6381   -0.0523 C   0  0  0  0  0
    3.0383    3.2318    1.3516 C   0  0  0  0  0
    2.6729    4.6470    1.2902 N   0  0  0  0  0
    0.8705   -0.9629    0.0999 H   0  0  0  0  0
    0.8807    0.4891   -0.9150 H   0  0  0  0  0
    0.8547    0.6381    0.8565 H   0  0  0  0  0
    5.2180   -2.8699   -0.0876 H   0  0  0  0  0
    6.5213   -1.7804   -0.2032 H   0  0  0  0  0
    2.2731    2.7580   -0.6185 H   0  0  0  0  0
    3.9730    3.1950   -0.6059 H   0  0  0  0  0
    3.9659    3.1264    1.9259 H   0  0  0  0  0
    2.2570    2.6913    1.8981 H   0  0  0  0  0
    3.4303    5.1774    0.8598 H   0  0  0  0  0
    2.5825    5.0093    2.2394 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 14  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 16  1  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 19  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
M  END

>  <Chemical Name>
Amthamine

>  <PubChem CID>
126688

>  <Formula>
C6H11N3S

>  <Molecular Weight>
157.235000

>  <IUPAC Name>
5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(SC(=N1)N)CCN

>  <Isomeric SMILES>
CC1=C(SC(=N1)N)CCN

>  <InChI Std. ID>
InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)

>  <InChI Key>
LHVRFUVVRXGZPV-UHFFFAOYSA-N

