(5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one
Formula:C13H8N2OS4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one |
| MolecularFormula | C13H8N2OS4 |
| Smiles | O=C(/C(/SC1=S)=C/c2cccs2)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C13H8N2OS4/c16-12-11(7-9-3-1-5-18-9)20-13(17)15(12)14-8-10-4-2-6-19-10/h1-8H |
| InChIK | GISPPIWGLBYBBJ-UHFFFAOYSA-N |
| TotalMolweight | 336.484 |
| Molweight | 336.484 |
| MonoisotopicMass | 335.951943 |
| CLogP | 2.7884 |
| CLogS | -5.115 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.12 |
| Relative PSA | 0.47804 |
| PolarSurfaceArea | 146.54 |
| Druglikeness | 5.3128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one | 2 - (5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazolidin-4-one
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