(5E)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H16N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-cyclohexyl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H16N2OS2 |
| Smiles | O=C(/C(/S1)=C\c2ccncc2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C15H16N2OS2/c18-14-13(10-11-6-8-16-9-7-11)20-15(19)17(14)12-4-2-1-3-5-12/h6-10,12H,1-5H2 |
| InChIK | JUAACAAMVYLDQS-UHFFFAOYSA-N |
| TotalMolweight | 304.437 |
| Molweight | 304.437 |
| MonoisotopicMass | 304.070403 |
| CLogP | 1.9519 |
| CLogS | -3.917 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229.28 |
| Relative PSA | 0.31861 |
| PolarSurfaceArea | 90.59 |
| Druglikeness | -2.121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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