1-{4-amino-2-[3-(methylsulfanyl)anilino]-1,3-thiazol-5-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-amino-2-[3-(methylsulfanyl)anilino]-1,3-thiazol-5-yl}-3-methylbutan-1-one
1-{4-amino-2-[3-(methylsulfanyl)anilino]-1,3-thiazol-5-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | F091-0600 |
| Compound Name: | 1-{4-amino-2-[3-(methylsulfanyl)anilino]-1,3-thiazol-5-yl}-3-methylbutan-1-one |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C15 H19 N3 O S2 |
| Smiles: | CC(C)CC(c1c(N)nc(Nc2cccc(c2)SC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4031 |
| logD: | 4.403 |
| logSw: | -4.4476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.141 |
| InChI Key: | WOYOQQWIMHSLHE-UHFFFAOYSA-N |