TL;DR: (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile (CAS 1321960-43-3) 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)-3-(5-chloro-2-methoxyanilino)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile, F0760-2113, (E)-3-(5-chloro-2-methoxyanilino)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(5-chloro-2-methoxyphenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]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 | 5 |
| Exact Mass | 381.07025 Da |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=CC(=C3)Cl)OC)/C#N |
| InChIKey | YFGRTWSXAAUOLM-RVDMUPIBSA-N |
The XLogP value of 5.6 indicates that (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)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-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)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-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile is 1321960-43-3.
The molecular formula of (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile is C20H16ClN3OS.
The molecular weight of (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(p-tolyl)thiazol-2-yl)acrylonitrile is 381.07025 g/mol.
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