TL;DR: Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl- (CAS 104388-95-6) is a chemical compound with molecular formula C10H8BrN3O2S and molecular weight 312.95206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(6-bromo-1,3-benzothiazol-2-yl)-N-methyloxamide
Also Known As: 4-bromo-2-cyclopropyl-phenol, N-(6-Bromo-2-benzothiazolyl)-N'-methylethanediamide, Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl-, N'-(6-bromo-1,3-benzothiazol-2-yl)-N-methyloxamide, N1-(6-Bromobenzo[d]thiazol-2-yl)-N2-methyloxalamide
| Molecular Formula | C10H8BrN3O2S |
| Molecular Weight | 312.95206 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.95206 Da |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
| SMILES | CNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Br |
| InChIKey | CAHHZWIMGMIKJV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl-. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl-. Following Lipinski's Rule of Five, Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl- is 104388-95-6.
The molecular formula of Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl- is C10H8BrN3O2S.
The molecular weight of Ethanediamide, N-(6-bromo-2-benzothiazolyl)-N'-methyl- is 312.95206 g/mol.
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