TL;DR: 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide (CAS 134625-86-8) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Also Known As: SDCCGMLS-0065305.P001, 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide, 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide, 2-(3-methyl-4-oxo-3-hydroquinazolin-2-ylthio)acetamide, 2-(2-Amino-2-oxoethylthio)-3-methyl-quinazolin-4(3H)-one
| Molecular Formula | C11H11N3O2S |
| Molecular Weight | 249.0572 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N |
| InChIKey | ROQXWNWZZOFSPE-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide has 1 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 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide is 134625-86-8.
The molecular formula of 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide is C11H11N3O2S.
The molecular weight of 2-[(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide is 249.0572 g/mol.
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