(5Z)-3-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H15N2OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H15N2OFS2 |
| Smiles | O=C(/C(/SC1=S)=C/N2CCCCC2)N1c(cc1)ccc1F |
| InChI | InChI=1S/C15H15FN2OS2/c16-11-4-6-12(7-5-11)18-14(19)13(21-15(18)20)10-17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2 |
| InChIK | WSZGDCZBSQOQBK-UHFFFAOYSA-N |
| TotalMolweight | 322.427 |
| Molweight | 322.427 |
| MonoisotopicMass | 322.060981 |
| CLogP | 1.8546 |
| CLogS | -4.33 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.67 |
| Relative PSA | 0.27967 |
| PolarSurfaceArea | 80.94 |
| Druglikeness | 0.89241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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