TL;DR: 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile (CAS 131890-55-6) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
Also Known As: 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-methylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile, 2,3-Dihydro-5-oxo-7-(4-methylphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile, 7-(4-methylphenyl)-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
| Molecular Formula | C14H11N3OS |
| Molecular Weight | 269.0623 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.0623 Da |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
| SMILES | CC1=CC=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N |
| InChIKey | BYTLEKKJCPFCJZ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile 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 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile is 131890-55-6.
The molecular formula of 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile is C14H11N3OS.
The molecular weight of 5-oxo-7-(p-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonitrile is 269.0623 g/mol.
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