4-(4-bromophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H11N3BrFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-bromophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-bromophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H11N3BrFS |
| Smiles | Fc1c(/C=N/Nc2nc(-c(cc3)ccc3Br)cs2)cccc1 |
| InChI | InChI=1S/C16H11BrFN3S/c17-13-7-5-11(6-8-13)15-10-22-16(20-15)21-19-9-12-3-1-2-4-14(12)18/h1-10H,(H,20,21) |
| InChIK | ZIXCDMBOZAUTCY-UHFFFAOYSA-N |
| TotalMolweight | 376.252 |
| Molweight | 376.252 |
| MonoisotopicMass | 374.984106 |
| CLogP | 7.0424 |
| CLogS | -5.808 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.68 |
| Relative PSA | 0.21835 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 0.86805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-bromophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-bromophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
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