(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Formula:C15H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C15H13N3O2S |
| Smiles | O=C(CS1)N(Cc2ccco2)/C1=N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H13N3O2S/c19-14-11-21-15(18(14)10-13-7-4-8-20-13)17-16-9-12-5-2-1-3-6-12/h1-9H,10-11H2 |
| InChIK | VHPJEJVREPFYTP-UHFFFAOYSA-N |
| TotalMolweight | 299.353 |
| Molweight | 299.353 |
| MonoisotopicMass | 299.072847 |
| CLogP | 3.4284 |
| CLogS | -4.154 |
| H Acceptors | 5 |
| TotalSurfaceArea | 230 |
| Relative PSA | 0.30961 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 5.0118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one | 2 - (2Z)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
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