TL;DR: 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one (CAS 1022651-97-3) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-phenylethylamino)pyrido[3,2-e][1,3]thiazin-4-one
Also Known As: 2-((2-PHENYLETHYL)AMINO)PYRIDINO[3,2-E]1,3-THIAZIN-4-ONE, 2-(2-phenylethylamino)pyrido[3,2-e][1,3]thiazin-4-one, 2-(phenethylamino)pyrido[3,2-e][1,3]thiazin-4-one, 2-[(2-phenylethyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one, 8-(phenethylamino)-7-thia-5,9-diazabicyclo[4.4.0]deca-2,4,8,11-tetraen-10-one
| Molecular Formula | C15H13N3OS |
| Molecular Weight | 283.07794 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.07794 Da |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
| SMILES | C1=CC=C(C=C1)CCNC2=NC(=O)C3=C(S2)N=CC=C3 |
| InChIKey | ADQVGVQNBSGIBO-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one. Following Lipinski's Rule of Five, 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one is 1022651-97-3.
The molecular formula of 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one is C15H13N3OS.
The molecular weight of 2-((2-Phenylethyl)amino)pyridino[3,2-E]1,3-thiazin-4-one is 283.07794 g/mol.
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