TL;DR: 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one (CAS 1431966-27-6) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Also Known As: 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one, 1-(2-(4-methoxyphenyl)-4-methylthiazol-5-yl)ethanone, 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone, J1.050.652B, 2-(4-Methoxyphenyl)-4-methyl-5-acetylthiazole
| Molecular Formula | C13H13NO2S |
| Molecular Weight | 247.0667 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)C |
| InChIKey | XYAHBKVFLNFHAX-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one 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 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one. Following Lipinski's Rule of Five, 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one is 1431966-27-6.
The molecular formula of 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one is C13H13NO2S.
The molecular weight of 1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one is 247.0667 g/mol.
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