| MolName | (E)-N-cyclopropyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C25H22N3OFS |
| Smiles | O=C(/C=C/c1ccccc1)N(CCc1csc2nc(-c(cc3)ccc3F)cn12)C1CC1 |
| InChI | InChI=1S/C25H22FN3OS/c26-20-9-7-19(8-10-20)23-16-29-22(17-31-25(29)27-23)14-15-28(21-11-12-21)24(30)13-6-18-4-2-1-3-5-18/h1-10,13,16-17,21H,11-12,14-15H2 |
| InChIK | ZLXGXJOZYSRIGN-UHFFFAOYSA-N |
| TotalMolweight | 431.534 |
| Molweight | 431.534 |
| MonoisotopicMass | 431.14676 |
| CLogP | 5.0502 |
| CLogS | -4.695 |
| H Acceptors | 4 |
| TotalSurfaceArea | 327.67 |
| Relative PSA | 0.17051 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 1.7918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-cyclopropyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-cyclopropyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide