TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- (CAS 114566-57-3) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-(4-methylanilino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)-, 6-(2-((4-Methylphenyl)amino)-4-thiazolyl)-2H-1,4-benzoxazin-3(4H)-one, 6-[2-(4-methylanilino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one, 6-[2-(4-Methylanilino)-1,3-thiazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C18H15N3O2S |
| Molecular Weight | 337.0885 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0885 Da |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
| SMILES | CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4 |
| InChIKey | BWWHBDMPQPUBCD-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- has 2 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 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- is 114566-57-3.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- is C18H15N3O2S.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)- is 337.0885 g/mol.
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