Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate (CAS 886498-23-3) is a chemical compound with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate, Ethyl2-(isobutylamino)-4-methylthiazole-5-carboxylate, 2-Isobutylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester, ETHYL 4-METHYL-2-[(2-METHYLPROPYL)AMINO]-1,3-THIAZOLE-5-CARBOXYLATE, Ethyl 4-methyl-2-[(2-methylpropyl)amino]-5-thiazolecarboxylate
| Molecular Formula | C11H18N2O2S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.69612 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.1089 |
| Heavy Atoms | 16 |
| Complexity | 360.86658 |
Chemical Identifiers
| CAS Number | 886498-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NCC(C)C)C |
Product Overview
Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate (CAS 886498-23-3), with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol. IUPAC: ethyl 4-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate
The XLogP value of 2.69612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate. With a topological polar surface area (TPSA) of 51.22 Ų, Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(isobutylamino)-4-methylthiazole-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-(isobutylamino)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate is 886498-23-3.
What is the molecular formula of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate is C11H18N2O2S.
What is the molecular weight of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate is 242.11 g/mol.
Where can I buy Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(isobutylamino)-4-methylthiazole-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-(isobutylamino)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(isobutylamino)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.