TL;DR: (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one (CAS 381183-83-1) is a chemical compound with molecular formula C24H24N4O2S2 and molecular weight 464.13406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[9-methyl-4-oxo-2-(1-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one, F1056-0067, (5Z)-5-({9-methyl-4-oxo-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[[9-methyl-4-oxo-2-(1-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one, 9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C24H24N4O2S2 |
| Molecular Weight | 464.13406 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.13406 Da |
| Heavy Atoms | 32 |
| Complexity | 986.0 |
| SMILES | CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NC(C)C4=CC=CC=C4)/SC1=S |
| InChIKey | PSFXOQUHABBYGI-RGEXLXHISA-N |
The XLogP value of 4.5 indicates that (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is 381183-83-1.
The molecular formula of (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is C24H24N4O2S2.
The molecular weight of (Z)-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is 464.13406 g/mol.
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