N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Formula:C15H10N4O2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide |
| MolecularFormula | C15H10N4O2S2 |
| Smiles | O=C(c1ccncc1)NN(C(/C(/S1)=C/c2ccncc2)=O)C1=S |
| InChI | InChI=1S/C15H10N4O2S2/c20-13(11-3-7-17-8-4-11)18-19-14(21)12(23-15(19)22)9-10-1-5-16-6-2-10/h1-9H,(H,18,20) |
| InChIK | GDOPAHPDPHDZRS-UHFFFAOYSA-N |
| TotalMolweight | 342.402 |
| Molweight | 342.402 |
| MonoisotopicMass | 342.024516 |
| CLogP | -0.5306 |
| CLogS | -3.094 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.21 |
| Relative PSA | 0.43546 |
| PolarSurfaceArea | 132.58 |
| Druglikeness | 3.9558 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide | 2 - N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
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