TL;DR: Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate (CAS 117840-81-0) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
Also Known As: methyl (4-methyl-1,3-thiazol-2-yl)acetate, methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate, Methyl 2-(4-methylthiazol-2-yl)acetate, (4-METHYL-THIAZOL-2-YL)-ACETIC ACID METHYL ESTER, Methyl2-(4-methylthiazol-2-yl)acetate
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.0354 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.0354 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | CC1=CSC(=N1)CC(=O)OC |
| InChIKey | MTVVMHZOBFCPMW-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate 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 Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate is 117840-81-0.
The molecular formula of Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate is C7H9NO2S.
The molecular weight of Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate is 171.0354 g/mol.
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