TL;DR: 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one (CAS 1001505-25-4) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: (5Z)-3-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, 3-CYCLOPROPYL-5-(1-METHYL-1H-PYRAZOL-4-YLMETHYLENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE, 3-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one, 3-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-3-CYCLOPROPYL-5-[(1-METHYL-1H-PYRAZOL-4-YL)METHYLENE]-2-THIOXOIMIDAZOLIDIN-4-ONE
| Molecular Formula | C11H12N4OS |
| Molecular Weight | 248.07318 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07318 Da |
| Heavy Atoms | 17 |
| Complexity | 404.0 |
| SMILES | CN1C=C(C=N1)C=C2C(=O)N(C(=S)N2)C3CC3 |
| InChIKey | ZVLJXEYLYNGHSQ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one. Following Lipinski's Rule of Five, 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one is 1001505-25-4.
The molecular formula of 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one is C11H12N4OS.
The molecular weight of 3-Cyclopropyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one is 248.07318 g/mol.
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