| MolName | (E)-3-(4-fluorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H14N3OFS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc(cc1)ccc1-c1cn(ccs2)c2n1 |
| InChI | InChI=1S/C20H14FN3OS/c21-16-6-1-14(2-7-16)3-10-19(25)22-17-8-4-15(5-9-17)18-13-24-11-12-26-20(24)23-18/h1-13H,(H,22,25) |
| InChIK | LRJOWFARQMEZIZ-UHFFFAOYSA-N |
| TotalMolweight | 363.415 |
| Molweight | 363.415 |
| MonoisotopicMass | 363.08416 |
| CLogP | 4.0605 |
| CLogS | -4.341 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.79 |
| Relative PSA | 0.2321 |
| PolarSurfaceArea | 74.64 |
| Druglikeness | -0.13029 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide