TL;DR: (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile (CAS 374546-02-8) is a chemical compound with molecular formula C20H16ClN3OS and molecular weight 381.07025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile, (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)amino]prop-2-enenitrile, F0760-1281, (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyanilino)prop-2-enenitrile
| Molecular Formula | C20H16ClN3OS |
| Molecular Weight | 381.07025 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.07025 Da |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
| SMILES | CCOC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Cl |
| InChIKey | SASNHJVLNOZHNM-NTCAYCPXSA-N |
The XLogP value of 5.6 indicates that (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)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)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)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)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile is 374546-02-8.
The molecular formula of (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile is C20H16ClN3OS.
The molecular weight of (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-((4-ethoxyphenyl)amino)acrylonitrile is 381.07025 g/mol.
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