(5Z)-5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H16N2O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(furan-2-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H16N2O2S2 |
| Smiles | O=C(/C(/S1)=C/c2ccco2)N(CN2CCCCC2)C1=S |
| InChI | InChI=1S/C14H16N2O2S2/c17-13-12(9-11-5-4-8-18-11)20-14(19)16(13)10-15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10H2 |
| InChIK | BKNUGQLMVSONJJ-UHFFFAOYSA-N |
| TotalMolweight | 308.425 |
| Molweight | 308.425 |
| MonoisotopicMass | 308.065318 |
| CLogP | 1.438 |
| CLogS | -3.728 |
| H Acceptors | 4 |
| TotalSurfaceArea | 231.77 |
| Relative PSA | 0.34405 |
| PolarSurfaceArea | 94.08 |
| Druglikeness | 2.4552 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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