Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate (CAS 878992-79-1) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[2-(BENZYLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-{[(benzylsulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-[2-(phenylmethylthio)acetylamino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.50012 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 671.2198 |
Chemical Identifiers
| CAS Number | 878992-79-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSCC2=CC=CC=C2)C |
Product Overview
Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate (CAS 878992-79-1), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate
The XLogP value of 3.50012 indicates that Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate is 878992-79-1.
What is the molecular formula of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate is C16H18N2O3S2.
What is the molecular weight of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate is 350.08 g/mol.
Where can I buy Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(benzylthio)acetamido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.