TL;DR: (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile (CAS 1321812-56-9) is a chemical compound with molecular formula C21H19N3S and molecular weight 345.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile, F0760-1174, (E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylanilino)prop-2-enenitrile, (2E)-2-[4-(2,4-DIMETHYLPHENYL)-1,3-THIAZOL-2-YL]-3-[(4-METHYLPHENYL)AMINO]PROP-2-ENENITRILE
| Molecular Formula | C21H19N3S |
| Molecular Weight | 345.12997 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.12997 Da |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
| SMILES | CC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=C(C=C(C=C3)C)C |
| InChIKey | HBCMFVKKSWCFKB-SFQUDFHCSA-N |
The XLogP value of 5.8 indicates that (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is 1321812-56-9.
The molecular formula of (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is C21H19N3S.
The molecular weight of (E)-2-(4-(2,4-dimethylphenyl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is 345.12997 g/mol.
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