1-[4-amino-2-(3-chloro-2-methylanilino)-1,3-thiazol-5-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[4-amino-2-(3-chloro-2-methylanilino)-1,3-thiazol-5-yl]-3-methylbutan-1-one
1-[4-amino-2-(3-chloro-2-methylanilino)-1,3-thiazol-5-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | F091-0222 |
| Compound Name: | 1-[4-amino-2-(3-chloro-2-methylanilino)-1,3-thiazol-5-yl]-3-methylbutan-1-one |
| Molecular Weight: | 323.84 |
| Molecular Formula: | C15 H18 Cl N3 O S |
| Smiles: | CC(C)CC(c1c(N)nc(Nc2cccc(c2C)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0089 |
| logD: | 5.0088 |
| logSw: | -4.9796 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 52.443 |
| InChI Key: | IQCRKGSJGRWRAU-UHFFFAOYSA-N |