Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate (CAS 302806-49-1) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate, BAS 01392828, BIM-0045400.P001, 4-Methyl-2-[(pyridine-4-carbonyl)-amino]-thiazole-5-carboxylic acid ethyl ester, ETHYL 2-(ISONICOTINOYLAMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 302806-49-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=NC=C2)C |
| InChIKey | ODETUOQNLWOPHL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate (CAS 302806-49-1), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(isonicotinamido)-4-methylthiazole-5-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 2-(isonicotinamido)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate is 302806-49-1.
What is the molecular formula of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate is C13H13N3O3S.
What is the molecular weight of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate is 291.07 g/mol.
Where can I buy Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(isonicotinamido)-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-(isonicotinamido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.