Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate (CAS 52868-70-9) is a chemical compound with molecular formula C7H10N2O2S2 and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylate
Also Known As: ethyl 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylate, 2-Methylmercapto-4-carbethoxy-5-aminothiazole, ethyl 5-amino-2-(methylthio)thiazole-4-carboxylate, ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate, AA-516/25012237
| Molecular Formula | C7H10N2O2S2 |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.01837 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 52868-70-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=N1)SC)N |
| InChIKey | ZJXFQQXJWBFONT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate (CAS 52868-70-9), with molecular formula C7H10N2O2S2 and molecular weight 218.02 g/mol. IUPAC: ethyl 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-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 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate is 52868-70-9.
What is the molecular formula of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate is C7H10N2O2S2.
What is the molecular weight of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate is 218.02 g/mol.
Where can I buy Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.