N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C20H12N4OBrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C20H12N4OBrF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c1c(-c(cc2)ccc2Br)nc2sccn12 |
| InChI | InChI=1S/C20H12BrF3N4OS/c21-15-7-3-12(4-8-15)17-16(28-9-10-30-19(28)26-17)11-25-27-18(29)13-1-5-14(6-2-13)20(22,23)24/h1-11H,(H,27,29) |
| InChIK | XURZXSTUIXUSQM-UHFFFAOYSA-N |
| TotalMolweight | 493.306 |
| Molweight | 493.306 |
| MonoisotopicMass | 491.986726 |
| CLogP | 5.6525 |
| CLogS | -5.886 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.79 |
| Relative PSA | 0.23918 |
| PolarSurfaceArea | 87 |
| Druglikeness | -3.4249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide | 2 - N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide
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