3-(5-Benzothiazolyl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-a...
C19H15N5S2
1601496-05-2 Copyright (C) 2024 ACS
 26 30  0  0  0  0  0  0  0  0999 V2000
    7.7721    6.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    5.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1046    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5828    2.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    5.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7710    4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250    1.7522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    1.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1046    6.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7710    5.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0892    3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1196    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5651    4.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6259    2.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0714    5.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019    3.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8719    1.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6419    3.9587    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1178    2.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    1.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    3.8850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
> <cas.rn>
1601496-05-2

> <cas.index.name>
Thieno[3,2-c]pyridin-4-amine, 3-(5-benzothiazolyl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)-

> <molecular.formula>
C19H15N5S2

> <molecular.weight>
377.49

> <boiling.point.predicted>
639.970±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.542±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.623±0.40    Most Basic Temp: 25 °C

$$$$
