N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide
Formula:C17H14N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide |
| MolecularFormula | C17H14N2O3S2 |
| Smiles | O=C(c1cccs1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C17H14N2O3S2/c20-15(13-7-4-10-23-13)18-8-9-19-16(21)14(24-17(19)22)11-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,20) |
| InChIK | XOGRJUVIARSHPY-UHFFFAOYSA-N |
| TotalMolweight | 358.441 |
| Molweight | 358.441 |
| MonoisotopicMass | 358.044583 |
| CLogP | 2.5427 |
| CLogS | -4.034 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.19 |
| Relative PSA | 0.35351 |
| PolarSurfaceArea | 120.02 |
| Druglikeness | 6.1854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide
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