5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0968 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C17 H12 N4 O S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccnc3)n2)S1)=O)\c1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.33 |
| logD: | 3.2627 |
| logSw: | -3.4144 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.714 |
| InChI Key: | PBLXZAPMXKXYLS-UHFFFAOYSA-N |