(Z)-4-(2-bromophenyl)-N-(4-fluorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C21H14N4BrFS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(2-bromophenyl)-N-(4-fluorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(2-bromophenyl)-N-(4-fluorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C21H14N4BrFS |
| Smiles | Fc(cc1)ccc1/N=C1\SC=C(c(cccc2)c2Br)N1/N=C\c1ncccc1 |
| InChI | InChI=1S/C21H14BrFN4S/c22-19-7-2-1-6-18(19)20-14-28-21(26-16-10-8-15(23)9-11-16)27(20)25-13-17-5-3-4-12-24-17/h1-14H |
| InChIK | XDKNDLWHEQIULY-UHFFFAOYSA-N |
| TotalMolweight | 453.338 |
| Molweight | 453.338 |
| MonoisotopicMass | 452.010655 |
| CLogP | 5.2432 |
| CLogS | -6.011 |
| H Acceptors | 4 |
| TotalSurfaceArea | 303.25 |
| Relative PSA | 0.18147 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 0.87476 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-4-(2-bromophenyl)-N-(4-fluorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(2-bromophenyl)-N-(4-fluorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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