1-[4-(4-{2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carbonyl}piperazin-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carbonyl}piperazin-1-yl)phenyl]ethan-1-one
1-[4-(4-{2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carbonyl}piperazin-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | M008-1661 |
| Compound Name: | 1-[4-(4-{2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carbonyl}piperazin-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C22 H22 F N5 O2 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1c(C)nc(Nc2ccc(cn2)F)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9756 |
| logSw: | -3.9321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.214 |
| InChI Key: | BEBZMCUGHJNKES-UHFFFAOYSA-N |