TL;DR: (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide (CAS 1321800-16-1) is a chemical compound with molecular formula C25H18N4OS and molecular weight 422.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(E)-2-cyano-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
Also Known As: BAS 02590666, (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide, F0837-0648, 4-[[(E)-2-cyano-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide, 4-{[(1E)-2-(4-{[1,1'-BIPHENYL]-4-YL}-1,3-THIAZOL-2-YL)-2-CYANOETH-1-EN-1-YL]AMINO}BENZAMIDE
| Molecular Formula | C25H18N4OS |
| Molecular Weight | 422.12012 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.12012 Da |
| Heavy Atoms | 31 |
| Complexity | 679.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)/C(=C/NC4=CC=C(C=C4)C(=O)N)/C#N |
| InChIKey | VZBGWRWFXZBLEO-RCCKNPSSSA-N |
The XLogP value of 5.2 indicates that (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)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-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide. Following Lipinski's Rule of Five, (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide is 1321800-16-1.
The molecular formula of (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide is C25H18N4OS.
The molecular weight of (E)-4-((2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzamide is 422.12012 g/mol.
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