(5E)-5-(pyridin-3-ylmethylidene)-3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H10N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(pyridin-3-ylmethylidene)-3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(pyridin-3-ylmethylidene)-3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H10N4OS2 |
| Smiles | O=C(/C(/SC1=S)=C\c2cnccc2)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H10N4OS2/c20-14-13(7-11-3-1-5-16-8-11)22-15(21)19(14)18-10-12-4-2-6-17-9-12/h1-10H |
| InChIK | WQLRQHVIRZNISN-UHFFFAOYSA-N |
| TotalMolweight | 326.403 |
| Molweight | 326.403 |
| MonoisotopicMass | 326.029601 |
| CLogP | 1.0534 |
| CLogS | -3.505 |
| H Acceptors | 5 |
| TotalSurfaceArea | 244.76 |
| Relative PSA | 0.3903 |
| PolarSurfaceArea | 115.84 |
| Druglikeness | 4.828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5E)-5-(pyridin-3-ylmethylidene)-3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-(pyridin-3-ylmethylidene)-3-[(Z)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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