TL;DR: (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 1322201-24-0) is a chemical compound with molecular formula C21H19N3OS and molecular weight 361.12488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,5-dimethylanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile, F0760-1938, (E)-3-(2,5-dimethylanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(2,5-DIMETHYLPHENYL)AMINO]-2-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]PROP-2-ENENITRILE
| Molecular Formula | C21H19N3OS |
| Molecular Weight | 361.12488 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.12488 Da |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
| SMILES | CC1=CC(=C(C=C1)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)OC |
| InChIKey | NOAZJAJNNSAFCA-SFQUDFHCSA-N |
The XLogP value of 5.4 indicates that (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile is 1322201-24-0.
The molecular formula of (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile is C21H19N3OS.
The molecular weight of (E)-3-((2,5-dimethylphenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile is 361.12488 g/mol.
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