(5E)-4-methylidene-5-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1,3-thiazol-2-amine
Formula:C11H9N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-4-methylidene-5-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | (5E)-4-methylidene-5-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1,3-thiazol-2-amine |
| MolecularFormula | C11H9N4F3S |
| Smiles | C=C1N=C(N)S/C1=N/Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C11H9F3N4S/c1-6-9(19-10(15)16-6)18-17-8-4-2-3-7(5-8)11(12,13)14/h2-5,17H,1H2,(H2,15,16) |
| InChIK | WQDFKWOSHQNORU-UHFFFAOYSA-N |
| TotalMolweight | 286.28 |
| Molweight | 286.28 |
| MonoisotopicMass | 286.05 |
| CLogP | 3.3681 |
| CLogS | -3.261 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 195.38 |
| Relative PSA | 0.34415 |
| PolarSurfaceArea | 88.07 |
| Druglikeness | -7.3075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-4-methylidene-5-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1,3-thiazol-2-amine | 2 - (5E)-4-methylidene-5-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-1,3-thiazol-2-amine
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