TL;DR: (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile (CAS 1321680-43-6) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5-dimethylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile, (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5-dimethylanilino)prop-2-enenitrile, F0760-1950, (2E)-2-[4-(3,4-DIMETHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-[(2,5-DIMETHYLPHENYL)AMINO]PROP-2-ENENITRILE, (z)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile
| Molecular Formula | C22H21N3O2S |
| Molecular Weight | 391.13544 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13544 Da |
| Heavy Atoms | 28 |
| Complexity | 590.0 |
| SMILES | CC1=CC(=C(C=C1)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC |
| InChIKey | ZUZANAYEHASMBQ-SFQUDFHCSA-N |
The XLogP value of 5.4 indicates that (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile is 1321680-43-6.
The molecular formula of (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile is C22H21N3O2S.
The molecular weight of (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((2,5-dimethylphenyl)amino)acrylonitrile is 391.13544 g/mol.
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