TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- (CAS 114566-68-6) is a chemical compound with molecular formula C19H16ClN3O2S and molecular weight 385.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl-, 6-(2-((4-Chlorophenyl)amino)-4-thiazolyl)-4-ethyl-2H-1,4-benzoxazin-3(4H)-one, 6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one, 6-[2-(4-Chloroanilino)-1,3-thiazol-4-yl]-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C19H16ClN3O2S |
| Molecular Weight | 385.0652 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0652 Da |
| Heavy Atoms | 26 |
| Complexity | 503.0 |
| SMILES | CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl |
| InChIKey | HYHXWKIUUXBRLO-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- has 1 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-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- is 114566-68-6.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- is C19H16ClN3O2S.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-((4-chlorophenyl)amino)-4-thiazolyl)-4-ethyl- is 385.0652 g/mol.
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