TL;DR: (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide (CAS 1321879-62-2) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
Also Known As: BAS 02590664, (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide, F0837-0646, 4-[[(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide, 4-{[(1E)-2-CYANO-2-[4-(4-ETHYLPHENYL)-1,3-THIAZOL-2-YL]ETH-1-EN-1-YL]AMINO}BENZAMIDE
| Molecular Formula | C21H18N4OS |
| Molecular Weight | 374.12012 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.12012 Da |
| Heavy Atoms | 27 |
| Complexity | 582.0 |
| SMILES | CCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)C(=O)N)/C#N |
| InChIKey | SZQWJLJKNNCECR-SFQUDFHCSA-N |
The XLogP value of 4.4 indicates that (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide. Following Lipinski's Rule of Five, (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide is 1321879-62-2.
The molecular formula of (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide is C21H18N4OS.
The molecular weight of (E)-4-((2-cyano-2-(4-(4-ethylphenyl)thiazol-2-yl)vinyl)amino)benzamide is 374.12012 g/mol.
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