Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
TL;DR: Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CAS 54968-74-0) is a chemical compound with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
Also Known As: ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate, ethyl 4-amino-3-carbamoylisothiazole-5-carboxylate, ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate, ZERO/005574, 4-Amino-3-carbamoylisothiazol-5-carbonsaeure
| Molecular Formula | C7H9N3O3S |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 0.0009 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.03647 |
| Heavy Atoms | 14 |
| Complexity | 374.25696 |
Chemical Identifiers
| CAS Number | 54968-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NS1)C(=O)N)N |
Product Overview
Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CAS 54968-74-0), with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol. IUPAC: ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
Property Insights of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
The XLogP value of 0.0009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-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 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The CAS number of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is 54968-74-0.
What is the molecular formula of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is C7H9N3O3S.
What is the molecular weight of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is 215.04 g/mol.
Where can I buy Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-amino-3-carbamoyl-1,2-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 Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.