TL;DR: 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide (CAS 139313-11-4) is a chemical compound with molecular formula C14H15BrN2OS and molecular weight 338.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)-1-phenylethanone bromide
Also Known As: 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide, 12G-902, 3-methyl-7-(2-oxo-2-phenylethyl)-5H,6H-imidazo[2,1-b][1,3]thiazol-7-ium bromide, 2-(3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)-1-phenylethanone;bromide, 2-(3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium-7-yl)-1-phenylethanone bromide
| Molecular Formula | C14H15BrN2OS |
| Molecular Weight | 338.00885 g/mol |
| XLogP | -0.94908 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.00885 Da |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
| SMILES | CC1=CSC2=[N+]1CCN2CC(=O)C3=CC=CC=C3.[Br-] |
| InChIKey | CCLDCCIAQTZFMK-UHFFFAOYSA-M |
The XLogP value of -0.94908 indicates that 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide has 0 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 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide is 139313-11-4.
The molecular formula of 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide is C14H15BrN2OS.
The molecular weight of 3-methyl-7-(2-oxo-2-phenylethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide is 338.00885 g/mol.
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