Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate (CAS 52868-72-1) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
Also Known As: ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 52868-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=N1)NC)N |
| InChIKey | YLGCELVVRXLZSB-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate (CAS 52868-72-1), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate has 2 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-(methylamino)-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate is 52868-72-1.
What is the molecular formula of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate is C7H11N3O2S.
What is the molecular weight of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate is 201.06 g/mol.
Where can I buy Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-2-(methylamino)-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-(methylamino)-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.