4-phenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
Formula:C17H12N3F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-phenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C17H12N3F3S |
| Smiles | FC(c1c(/C=N/Nc2nc(-c3ccccc3)cs2)cccc1)(F)F |
| InChI | InChI=1S/C17H12F3N3S/c18-17(19,20)14-9-5-4-8-13(14)10-21-23-16-22-15(11-24-16)12-6-2-1-3-7-12/h1-11H,(H,22,23) |
| InChIK | HLLIJGAEGDAOMP-UHFFFAOYSA-N |
| TotalMolweight | 347.363 |
| Molweight | 347.363 |
| MonoisotopicMass | 347.070401 |
| CLogP | 7.0647 |
| CLogS | -5.438 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.16 |
| Relative PSA | 0.21449 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.1919 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-phenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine | 2 - 4-phenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
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