TL;DR: 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone (CAS 10505-52-9) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.0124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
Also Known As: 1-(4-chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone, 1-(4-chlorophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone, 1-(4-chlorophenyl)-2-(2-imino-2,3-dihydro-1,3-thiazol-3-yl)ethan-1-one, 1-(4-CHLOROPHENYL)-2-[2-IMINO-1,3-THIAZOL-3(2H)-YL]-1-ETHANONE
| Molecular Formula | C11H9ClN2OS |
| Molecular Weight | 252.0124 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0124 Da |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC=C1C(=O)CN2C=CSC2=N)Cl |
| InChIKey | UGZNECZBRWIKSF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone. Following Lipinski's Rule of Five, 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone is 10505-52-9.
The molecular formula of 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone is C11H9ClN2OS.
The molecular weight of 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone is 252.0124 g/mol.
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