TL;DR: (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide (CAS 1164452-14-5) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(furan-2-yl)-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide
Also Known As: (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide, 1-(furan-2-yl)-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide, 5-[(E)-(furan-2-ylmethylidene)(oxido)-lambda~5~-azanyl]-3,4,4-trimethyl-1,3-thiazolidine-2-thione
| Molecular Formula | C11H14N2O2S2 |
| Molecular Weight | 270.04968 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04968 Da |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
| SMILES | CC1(C(SC(=S)N1C)/[N+](=C\C2=CC=CO2)/[O-])C |
| InChIKey | UXHMDTJXXCDDLI-NTUHNPAUSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide. Following Lipinski's Rule of Five, (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide 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 (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 1164452-14-5.
The molecular formula of (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is C11H14N2O2S2.
The molecular weight of (E)-N-(furan-2-ylmethylene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 270.04968 g/mol.
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