(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
TL;DR: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CAS 560994-76-5) is a chemical compound with molecular formula C14H11N5OS and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide, 2-cyano-3-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
| Molecular Formula | C14H11N5OS |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.20738 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06842 |
| Heavy Atoms | 21 |
| Complexity | 786.6765 |
Chemical Identifiers
| CAS Number | 560994-76-5 |
|---|---|
| SMILES | CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NC2=NC=CS2 |
Product Overview
(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CAS 560994-76-5), with molecular formula C14H11N5OS and molecular weight 297.07 g/mol. IUPAC: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Property Insights of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
The XLogP value of 2.20738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide 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 (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The CAS number of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is 560994-76-5.
What is the molecular formula of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The molecular formula of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is C14H11N5OS.
What is the molecular weight of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The molecular weight of (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is 297.07 g/mol.
Where can I buy (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
You can request a quote for (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.