TL;DR: Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate (CAS 103054-24-6) is a chemical compound with molecular formula C8H9ClN2O3S and molecular weight 248.00224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate
Also Known As: methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate, methyl {2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}acetate, methyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate, methyl2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate, 4-thiazoleacetic acid, 2-[(2-chloroacetyl)amino]-, methyl ester
| Molecular Formula | C8H9ClN2O3S |
| Molecular Weight | 248.00224 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.00224 Da |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
| SMILES | COC(=O)CC1=CSC(=N1)NC(=O)CCl |
| InChIKey | FGTQVOQSRPCNHN-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate is 103054-24-6.
The molecular formula of Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate is C8H9ClN2O3S.
The molecular weight of Methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetate is 248.00224 g/mol.
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