TL;DR: 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile (CAS 131364-55-1) is a chemical compound with molecular formula C13H8FN3OS and molecular weight 273.0372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
Also Known As: 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-fluorophenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile, 2,3-Dihydro-7-(4-fluorophenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-Fluorophenyl)-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carbonitrile
| Molecular Formula | C13H8FN3OS |
| Molecular Weight | 273.0372 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.0372 Da |
| Heavy Atoms | 19 |
| Complexity | 525.0 |
| SMILES | C1CSC2=NC(=C(C(=O)N21)C#N)C3=CC=C(C=C3)F |
| InChIKey | NKUOGZJZTAGSTN-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is 131364-55-1.
The molecular formula of 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is C13H8FN3OS.
The molecular weight of 7-(4-fluorophenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is 273.0372 g/mol.
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