TL;DR: Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)- (CAS 161364-54-1) is a chemical compound with molecular formula C16H19N3O2S2 and molecular weight 349.09186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone
Also Known As: 3-(1H-Imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)thiazolidine, Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)-, 2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone, 2-(1H-Imidazol-1-yl)-1-(2-{[(2-methoxyphenyl)sulfanyl]methyl}-1,3-thiazolidin-3-yl)ethan-1-one
| Molecular Formula | C16H19N3O2S2 |
| Molecular Weight | 349.09186 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.09186 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | COC1=CC=CC=C1SCC2N(CCS2)C(=O)CN3C=CN=C3 |
| InChIKey | KJUPHPRDUOUVPK-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)-. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)-. Following Lipinski's Rule of Five, Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)- has 0 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 Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)- is 161364-54-1.
The molecular formula of Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)- is C16H19N3O2S2.
The molecular weight of Thiazolidine, 3-(1H-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)- is 349.09186 g/mol.
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