3-{4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine-1-carbonyl}benzonitrile
3-{4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P605-0506 |
| Compound Name: | 3-{4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | Cc1c(C)sc(c2ccc(nc2)N2CCN(CC2)C(c2cccc(C#N)c2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.564 |
| logD: | 2.4179 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.115 |
| InChI Key: | DPOPQVBYIMMRRB-UHFFFAOYSA-N |