(5Z)-3-(oxolan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H14N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H14N2O2S2 |
| Smiles | O=C(/C(/S1)=C/c2cnccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C14H14N2O2S2/c17-13-12(7-10-3-1-5-15-8-10)20-14(19)16(13)9-11-4-2-6-18-11/h1,3,5,7-8,11H,2,4,6,9H2/t11-/m1/s1 |
| InChIK | TUOBXANTKCVYMU-LLVKDONJSA-N |
| TotalMolweight | 306.409 |
| Molweight | 306.409 |
| MonoisotopicMass | 306.049668 |
| CLogP | 0.696 |
| CLogS | -3.028 |
| H Acceptors | 4 |
| TotalSurfaceArea | 225.52 |
| Relative PSA | 0.36826 |
| PolarSurfaceArea | 99.82 |
| Druglikeness | 2.7856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (5Z)-3-(oxolan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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