(5Z)-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C16H18N2O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C16H18N2O2S3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)N1CCCCC1 |
| InChI | InChI=1S/C16H18N2O2S3/c19-14(17-7-2-1-3-8-17)6-9-18-15(20)13(23-16(18)21)11-12-5-4-10-22-12/h4-5,10-11H,1-3,6-9H2 |
| InChIK | MJNXKPZGVAHYAD-UHFFFAOYSA-N |
| TotalMolweight | 366.529 |
| Molweight | 366.529 |
| MonoisotopicMass | 366.053038 |
| CLogP | 2.2013 |
| CLogS | -3.779 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.53 |
| Relative PSA | 0.36742 |
| PolarSurfaceArea | 126.25 |
| Druglikeness | 3.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
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