TL;DR: (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 1164470-25-0) is a chemical compound with molecular formula C15H16N2OS2 and molecular weight 304.0704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-cyclohexyl-5-(pyridin-4-ylmethylene)-2-thioxothiazolidin-4-one, (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-Cyclohexyl-5-[1-pyridin-4-yl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one
| Molecular Formula | C15H16N2OS2 |
| Molecular Weight | 304.0704 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0704 Da |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
| SMILES | C1CCC(CC1)N2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S |
| InChIKey | JUAACAAMVYLDQS-RAXLEYEMSA-N |
The XLogP value of 3.7 indicates that (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one is 1164470-25-0.
The molecular formula of (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one is C15H16N2OS2.
The molecular weight of (5Z)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one is 304.0704 g/mol.
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