(3aS,6aR)-5,5-dioxo-3-pyridin-2-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
Formula:C10H10N2O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3aS,6aR)-5,5-dioxo-3-pyridin-2-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione is a drug-like molecule.
| MolName | (3aS,6aR)-5,5-dioxo-3-pyridin-2-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione |
| MolecularFormula | C10H10N2O2S3 |
| Smiles | O=S(C[C@@H]1N2c3ncccc3)(C[C@@H]1SC2=S)=O |
| InChI | InChI=1S/C10H10N2O2S3/c13-17(14)5-7-8(6-17)16-10(15)12(7)9-3-1-2-4-11-9/h1-4,7-8H,5-6H2/t7-,8-/m1/s1 |
| InChIK | XKCZPTQUWDXKOV-HTQZYQBOSA-N |
| TotalMolweight | 286.399 |
| Molweight | 286.399 |
| MonoisotopicMass | 285.990438 |
| CLogP | -0.1088 |
| CLogS | -3.071 |
| H Acceptors | 4 |
| TotalSurfaceArea | 186.62 |
| Relative PSA | 0.47471 |
| PolarSurfaceArea | 116.04 |
| Druglikeness | 0.27832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3aS,6aR)-5,5-dioxo-3-pyridin-2-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione | 2 - (3aS,6aR)-5,5-dioxo-3-pyridin-2-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
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