(5E)-3-pyridin-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C13H8N2OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-pyridin-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-pyridin-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C13H8N2OS3 |
| Smiles | O=C(/C(/SC1=S)=C\c2cccs2)N1c1ncccc1 |
| InChI | InChI=1S/C13H8N2OS3/c16-12-10(8-9-4-3-7-18-9)19-13(17)15(12)11-5-1-2-6-14-11/h1-8H |
| InChIK | XUVCWYDNGHBEHI-UHFFFAOYSA-N |
| TotalMolweight | 304.418 |
| Molweight | 304.418 |
| MonoisotopicMass | 303.979873 |
| CLogP | 2.1094 |
| CLogS | -4.723 |
| H Acceptors | 3 |
| TotalSurfaceArea | 217.18 |
| Relative PSA | 0.4301 |
| PolarSurfaceArea | 118.83 |
| Druglikeness | 3.3439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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