TL;DR: (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 1321734-46-6) is a chemical compound with molecular formula C20H15Cl2N3O2S and molecular weight 431.0262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,5-dichloroanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile, F0760-1884, (E)-3-(3,5-dichloroanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(3,5-DICHLOROPHENYL)AMINO]-2-[4-(3,4-DIMETHOXYPHENYL)-1,3-THIAZOL-2-YL]PROP-2-ENENITRILE
| Molecular Formula | C20H15Cl2N3O2S |
| Molecular Weight | 431.0262 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.0262 Da |
| Heavy Atoms | 28 |
| Complexity | 589.0 |
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=CC(=C3)Cl)Cl)/C#N)OC |
| InChIKey | JKYGRBTZHJSIKR-JLHYYAGUSA-N |
The XLogP value of 5.9 indicates that (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)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)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)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)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 1321734-46-6.
The molecular formula of (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is C20H15Cl2N3O2S.
The molecular weight of (E)-3-((3,5-dichlorophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 431.0262 g/mol.
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