TL;DR: N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049721-05-2) is a chemical compound with molecular formula C15H17ClFN5OS and molecular weight 369.08264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[[5-(2-fluorophenyl)-2-furyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride, N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
| Molecular Formula | C15H17ClFN5OS |
| Molecular Weight | 369.08264 g/mol |
| XLogP | 2.9129 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.08264 Da |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=C(O2)C3=CC=CC=C3F.Cl |
| InChIKey | CLIJAKYPSGZHBH-UHFFFAOYSA-N |
The XLogP value of 2.9129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. Following Lipinski's Rule of Five, N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1049721-05-2.
The molecular formula of N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C15H17ClFN5OS.
The molecular weight of N-((5-(2-fluorophenyl)furan-2-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 369.08264 g/mol.
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