TL;DR: N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide (CAS 155811-73-7) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.08957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide
Also Known As: N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide, 4-(2-(2-Benzoylhydrazino)-4-thiazolyl)-5-hydroxy-3-p-tolyl-1,2,3-oxadiazolium inner salt, 1,2,3-Oxadiazolium, 4-(2-(2-benzoylhydrazino)-4-thiazolyl)-5-hydroxy-3-(4-methylphenyl)-, inner salt, 4-(2-(2-Benzoylhydrazino)-4-thiazolyl)-5-hydroxy-3-phenyl-1,2,3-oxadiazolium inner salt
| Molecular Formula | C19H15N5O3S |
| Molecular Weight | 393.08957 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.08957 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | CC1=CC=C(C=C1)N2CO[N+](=C2C3=CSC(=N3)N=NC(=O)C4=CC=CC=C4)[O-] |
| InChIKey | VDGCAHRHSFMWLJ-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide. Following Lipinski's Rule of Five, N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide is 155811-73-7.
The molecular formula of N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide is C19H15N5O3S.
The molecular weight of N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide is 393.08957 g/mol.
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