TL;DR: (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide (CAS 1164484-61-0) is a chemical compound with molecular formula C12H15N3OS2 and molecular weight 281.06564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-pyridin-3-yl-N-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)methanimine oxide
Also Known As: (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide, 1-pyridin-3-yl-N-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)methanimine oxide, 3,5,5-trimethyl-4-[oxido(3-pyridinylmethylene)amino]-1,3-thiazolidine-2-thione, 3,5,5-trimethyl-4-[(Z)-oxido(pyridin-3-ylmethylidene)-lambda~5~-azanyl]-1,3-thiazolidine-2-thione
| Molecular Formula | C12H15N3OS2 |
| Molecular Weight | 281.06564 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06564 Da |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
| SMILES | CC1(C(N(C(=S)S1)C)/[N+](=C/C2=CN=CC=C2)/[O-])C |
| InChIKey | MKDROKHEDALTEZ-NVNXTCNLSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide. Following Lipinski's Rule of Five, (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-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 (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide is 1164484-61-0.
The molecular formula of (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide is C12H15N3OS2.
The molecular weight of (Z)-3,5,5-trimethyl-N-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-amine oxide is 281.06564 g/mol.
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