N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
Formula:C15H14N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide |
| MolecularFormula | C15H14N4O4S2 |
| Smiles | O=C(C(CC1)=NNC1=O)NCCN(C(/C(/S1)=C/c2cccs2)=O)C1=O |
| InChI | InChI=1S/C15H14N4O4S2/c20-12-4-3-10(17-18-12)13(21)16-5-6-19-14(22)11(25-15(19)23)8-9-2-1-7-24-9/h1-2,7-8H,3-6H2,(H,16,21)(H,18,20) |
| InChIK | DRIWQFQHLYBNIO-UHFFFAOYSA-N |
| TotalMolweight | 378.432 |
| Molweight | 378.432 |
| MonoisotopicMass | 378.045646 |
| CLogP | 0.3123 |
| CLogS | -3.483 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 266.63 |
| Relative PSA | 0.48003 |
| PolarSurfaceArea | 161.48 |
| Druglikeness | 8.5426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide | 2 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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