(E)-3-(5-bromofuran-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
Formula:C18H12N3O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-bromofuran-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(5-bromofuran-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide |
| MolecularFormula | C18H12N3O2BrS |
| Smiles | O=C(/C=C/c(o1)ccc1Br)Nc(cc1)ccc1-c1cn(ccs2)c2n1 |
| InChI | InChI=1S/C18H12BrN3O2S/c19-16-7-5-14(24-16)6-8-17(23)20-13-3-1-12(2-4-13)15-11-22-9-10-25-18(22)21-15/h1-11H,(H,20,23) |
| InChIK | NOWZGAGUECRBTK-UHFFFAOYSA-N |
| TotalMolweight | 414.282 |
| Molweight | 414.282 |
| MonoisotopicMass | 412.983358 |
| CLogP | 3.971 |
| CLogS | -4.306 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.76 |
| Relative PSA | 0.28144 |
| PolarSurfaceArea | 87.78 |
| Druglikeness | -0.92698 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(5-bromofuran-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide | 2 - (E)-3-(5-bromofuran-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
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