Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CAS 313551-46-1) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-pivalamidothiazole-5-carboxylate, VU0493843-1, F0014-0295, AP-906/40124038
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 313551-46-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)(C)C)C |
| InChIKey | XYRUVRMZAKTBDO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CAS 313551-46-1), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-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-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is 313551-46-1.
What is the molecular formula of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is C12H18N2O3S.
What is the molecular weight of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is 270.10 g/mol.
Where can I buy Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-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-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.