N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
Formula:C16H13N3O4S2
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-1H-pyridine-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-1H-pyridine-3-carboxamide |
| MolecularFormula | C16H13N3O4S2 |
| Smiles | O=C(C(C=C1)=CNC1=O)NCCN(C(/C(/S1)=C/c2cccs2)=O)C1=O |
| InChI | InChI=1S/C16H13N3O4S2/c20-13-4-3-10(9-18-13)14(21)17-5-6-19-15(22)12(25-16(19)23)8-11-2-1-7-24-11/h1-4,7-9H,5-6H2,(H,17,21)(H,18,20) |
| InChIK | OMIZUYCAFBVVCC-UHFFFAOYSA-N |
| TotalMolweight | 375.428 |
| Molweight | 375.428 |
| MonoisotopicMass | 375.034747 |
| CLogP | 0.1973 |
| CLogS | -3.107 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 267.35 |
| Relative PSA | 0.43568 |
| PolarSurfaceArea | 149.12 |
| Druglikeness | 5.7075 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide | 2 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
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