TL;DR: (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 374544-24-8) is a chemical compound with molecular formula C18H11IN4O2S and molecular weight 473.96475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-iodoanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (2E)-3-[(2-iodophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0760-2260, (E)-3-(2-iodoanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(2-iodophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H11IN4O2S |
| Molecular Weight | 473.96475 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.96475 Da |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
| SMILES | C1=CC=C(C(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])I |
| InChIKey | DMFQLQYHUIOUBS-JLHYYAGUSA-N |
The XLogP value of 5.2 indicates that (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)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-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 374544-24-8.
The molecular formula of (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is C18H11IN4O2S.
The molecular weight of (E)-3-((2-iodophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 473.96475 g/mol.
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