TL;DR: 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CAS 880071-20-5) is a chemical compound with molecular formula C18H18ClFN4OS and molecular weight 392.0874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 7-({4-[(2-chloro-4-fluorophenyl)methyl]piperazinyl}methyl)-4-hydro-1,3-thiazol ino[3,2-a]pyrimidin-5-one, 7-{[4-(2-chloro-4-fluorobenzyl)piperazin-1-yl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C18H18ClFN4OS |
| Molecular Weight | 392.0874 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0874 Da |
| Heavy Atoms | 26 |
| Complexity | 647.0 |
| SMILES | C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC3=CC(=O)N4C=CSC4=N3 |
| InChIKey | PXVPBWBUDRZWDM-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one. Following Lipinski's Rule of Five, 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has 0 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 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is 880071-20-5.
The molecular formula of 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C18H18ClFN4OS.
The molecular weight of 7-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is 392.0874 g/mol.
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