TL;DR: (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one (CAS 1005695-94-2) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one, 3-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methylene]-2-thioxo-imidazolidin-4-one, 3-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-3-CYCLOPROPYL-5-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYLENE]-2-THIOXOIMIDAZOLIDIN-4-ONE, (5Z)-3-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H14N4OS |
| Molecular Weight | 262.08884 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08884 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | CC1=NN(C=C1C=C2C(=O)N(C(=S)N2)C3CC3)C |
| InChIKey | IWRSIGMIKVLPQD-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-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 (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one is 1005695-94-2.
The molecular formula of (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one is C12H14N4OS.
The molecular weight of (Z)-3-Cyclopropyl-5-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-thioxoimidazolidin-4-one is 262.08884 g/mol.
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