2-fluoro-N-[(Z)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide
Formula:C15H12N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[(Z)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[(Z)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide |
| MolecularFormula | C15H12N3O2FS2 |
| Smiles | O=C(c(cccc1)c1F)N/N=C(/N1Cc2cccs2)\SCC1=O |
| InChI | InChI=1S/C15H12FN3O2S2/c16-12-6-2-1-5-11(12)14(21)17-18-15-19(13(20)9-23-15)8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21) |
| InChIK | JUNGADISSBAQDL-UHFFFAOYSA-N |
| TotalMolweight | 349.409 |
| Molweight | 349.409 |
| MonoisotopicMass | 349.035495 |
| CLogP | 2.6231 |
| CLogS | -4.385 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.05 |
| Relative PSA | 0.36612 |
| PolarSurfaceArea | 115.31 |
| Druglikeness | 5.8012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-fluoro-N-[(Z)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide | 2 - 2-fluoro-N-[(Z)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide
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