N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
Formula:C11H8N3F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C11H8N3F3S |
| Smiles | FC(c1c(/C=N/Nc2nccs2)cccc1)(F)F |
| InChI | InChI=1S/C11H8F3N3S/c12-11(13,14)9-4-2-1-3-8(9)7-16-17-10-15-5-6-18-10/h1-7H,(H,15,17) |
| InChIK | IZSKDSUVZCCFAC-UHFFFAOYSA-N |
| TotalMolweight | 271.266 |
| Molweight | 271.266 |
| MonoisotopicMass | 271.039101 |
| CLogP | 5.3145 |
| CLogS | -3.66 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.4 |
| Relative PSA | 0.28077 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -4.1988 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
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