TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- (CAS 114566-61-9) 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-anilino-1,3-thiazol-4-yl)-4-methyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)-, 4-Methyl-6-(2-(phenylamino)-4-thiazolyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,4-benzoxazin-3-one, 6-(2-Anilino-1,3-thiazol-4-yl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C18H15N3O2S |
| Molecular Weight | 337.0885 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0885 Da |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
| SMILES | CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=CC=C4 |
| InChIKey | DYMKPLXZJPWSOH-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- 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, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- 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, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- is 114566-61-9.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- is C18H15N3O2S.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)- is 337.0885 g/mol.
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