Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate (CAS 159450-23-4) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate, ethyl 2-((4-cyanobenzoyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate, F0737-0415, ethyl 2-(4-cyanobenzoylimino)-3,4-dimethylthiazoline-5-carboxylate, (Z)-ethyl 2-((4-cyanobenzoyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate
Technical Specifications
| Molecular Formula | C16H15N3O3S |
| Molecular Weight | 329.0834 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 Da |
| Heavy Atoms | 23 |
| Complexity | 609.0 |
| SMILES | CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)C#N)S1)C)C |
| InChIKey | UZIPRZHOXCHCBC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate is 159450-23-4.
What is the molecular formula of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate is C16H15N3O3S.
What is the molecular weight of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate is 329.0834 g/mol.
Where can I buy Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.