| MolName | (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide |
| MolecularFormula | C15H8N4OCl2S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(n(ccs1)c1n1)c1Cl |
| InChI | InChI=1S/C15H8Cl2N4OS/c16-10-1-3-11(4-2-10)19-14(22)9(8-18)7-12-13(17)20-15-21(12)5-6-23-15/h1-7H,(H,19,22) |
| InChIK | PXWVIRLVTVDIND-UHFFFAOYSA-N |
| TotalMolweight | 363.228 |
| Molweight | 363.228 |
| MonoisotopicMass | 361.979585 |
| CLogP | 3.4249 |
| CLogS | -3.78 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.44 |
| Relative PSA | 0.2981 |
| PolarSurfaceArea | 98.43 |
| Druglikeness | -0.30237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide | 2 - (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide