4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C16H10N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C16H10N3O2FS2 |
| Smiles | O=C(c(cc1)ccc1F)NN(C(/C(/S1)=C/c2ccncc2)=O)C1=S |
| InChI | InChI=1S/C16H10FN3O2S2/c17-12-3-1-11(2-4-12)14(21)19-20-15(22)13(24-16(20)23)9-10-5-7-18-8-6-10/h1-9H,(H,19,21) |
| InChIK | ZXUOBIRVZOBWSK-UHFFFAOYSA-N |
| TotalMolweight | 359.404 |
| Molweight | 359.404 |
| MonoisotopicMass | 359.019845 |
| CLogP | 0.5711 |
| CLogS | -4.203 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.8 |
| Relative PSA | 0.37987 |
| PolarSurfaceArea | 119.69 |
| Druglikeness | 2.6158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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 | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - 4-fluoro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
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