Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
TL;DR: Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS 886497-67-2) is a chemical compound with molecular formula C10H11F3N2O2S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(prop-2-enylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate, ethyl 2-(prop-2-enylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, 2-Allylamino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester, Ethyl 2-(allylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, Ethyl 2-(allylimino)-4-(trifluoromethyl)-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C10H11F3N2O2S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 2.9365 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.04935 |
| Heavy Atoms | 18 |
| Complexity | 442.82147 |
Chemical Identifiers
| CAS Number | 886497-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NCC=C)C(F)(F)F |
Product Overview
Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS 886497-67-2), with molecular formula C10H11F3N2O2S and molecular weight 280.05 g/mol. IUPAC: ethyl 2-(prop-2-enylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
Property Insights of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
The XLogP value of 2.9365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate. With a topological polar surface area (TPSA) of 51.22 Ų, Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 5 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-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate?
The CAS number of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate is 886497-67-2.
What is the molecular formula of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate?
The molecular formula of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate is C10H11F3N2O2S.
What is the molecular weight of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate?
The molecular weight of Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate is 280.05 g/mol.
Where can I buy Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate?
You can request a quote for Ethyl 2-(allylamino)-4-(trifluoromethyl)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 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(allylamino)-4-(trifluoromethyl)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.