TL;DR: Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (CAS 144061-14-3) is a chemical compound with molecular formula C14H12F3NO2S and molecular weight 315.05408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, 4351AD, 1G-311S, ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]thiazole-5-carboxylate, Ethyl 4-methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylate
| Molecular Formula | C14H12F3NO2S |
| Molecular Weight | 315.05408 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05408 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)C1=C(N=C(S1)C2=CC(=CC=C2)C(F)(F)F)C |
| InChIKey | PHSFBESZXIUREP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is 144061-14-3.
The molecular formula of Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is C14H12F3NO2S.
The molecular weight of Ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is 315.05408 g/mol.
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