TL;DR: (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione (CAS 1438408-94-6) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: Erk Inhibitor, J3.184.717F, (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione, 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)-1,3-thiazolidine-2,4-dione, (5Z)-3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H16N2O3S |
| Molecular Weight | 292.08817 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.08817 Da |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
| SMILES | CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCN |
| InChIKey | NBJOUCGADPALIB-XFXZXTDPSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione. Following Lipinski's Rule of Five, (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione is 1438408-94-6.
The molecular formula of (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione is C14H16N2O3S.
The molecular weight of (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione is 292.08817 g/mol.
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