Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate
TL;DR: Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate (CAS 60093-05-2) is a chemical compound with molecular formula C6H8N2O2S2 and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate, Methyl 4-amino-2-(methylthio)thiazole-5-carboxylate, Maybridge3_003561, 4-amino-2-methylthio-thiazole-5-carboxylic acid methyl ester, 4-Amino-2-methylthio-5-thiazolecarboxylic acid methyl ester
| Molecular Formula | C6H8N2O2S2 |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.00272 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 60093-05-2 |
|---|---|
| SMILES | COC(=O)C1=C(N=C(S1)SC)N |
| InChIKey | GVNAJKLESILZHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate (CAS 60093-05-2), with molecular formula C6H8N2O2S2 and molecular weight 204.00 g/mol. IUPAC: methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate
Property Insights of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-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 Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate is 60093-05-2.
What is the molecular formula of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate is C6H8N2O2S2.
What is the molecular weight of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate is 204.00 g/mol.
Where can I buy Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.