TL;DR: (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione (CAS 1307299-57-5) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
Also Known As: 2, 5-(3-phenyl-2-propenylidene)-, (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione, J2.688.798D, AB00079101-01, 5-((e)-3-phenylallylidene)thiazolidine-2,4-dione
| Molecular Formula | C12H9NO2S |
| Molecular Weight | 231.0354 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0354 Da |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=O)S2 |
| InChIKey | XABHYXPBBJGVRA-DODKFZKMSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione is 1307299-57-5.
The molecular formula of (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione is C12H9NO2S.
The molecular weight of (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione is 231.0354 g/mol.
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