TL;DR: 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 499118-19-3) is a chemical compound with molecular formula C20H22N4O3S3 and molecular weight 462.08542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(3-methoxypropyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-(3-methoxypropyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(3-methoxypropyl)-5-((4-oxo-2-thiomorpholino-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 3-(3-methoxypropyl)-5-[(4-oxo-2-(1,4-thiazaperhydroin-4-yl)(5-hydropyridino[1, 2-a]pyrimidin-3-yl))methylene]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H22N4O3S3 |
| Molecular Weight | 462.08542 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.08542 Da |
| Heavy Atoms | 30 |
| Complexity | 916.0 |
| SMILES | COCCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCSCC4)/SC1=S |
| InChIKey | DKAAFBPMMFXNSL-SQFISAMPSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 148.0 Ų indicates high polarity, suggesting 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 499118-19-3.
The molecular formula of 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is C20H22N4O3S3.
The molecular weight of 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 462.08542 g/mol.
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