4-(trifluoromethyl)-2-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,3-thiazole-5-carbonitrile
Formula:C14H7N3F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(trifluoromethyl)-2-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,3-thiazole-5-carbonitrile is a drug-like molecule.
| MolName | 4-(trifluoromethyl)-2-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,3-thiazole-5-carbonitrile |
| MolecularFormula | C14H7N3F6S |
| Smiles | N#Cc1c(C(F)(F)F)nc(/C=C/Nc2cc(C(F)(F)F)ccc2)s1 |
| InChI | InChI=1S/C14H7F6N3S/c15-13(16,17)8-2-1-3-9(6-8)22-5-4-11-23-12(14(18,19)20)10(7-21)24-11/h1-6,22H |
| InChIK | MIXFEGYKINNQAR-UHFFFAOYSA-N |
| TotalMolweight | 363.285 |
| Molweight | 363.285 |
| MonoisotopicMass | 363.026485 |
| CLogP | 3.5358 |
| CLogS | -5.191 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 246.31 |
| Relative PSA | 0.22878 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -10.007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(trifluoromethyl)-2-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,3-thiazole-5-carbonitrile | 2 - 4-(trifluoromethyl)-2-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,3-thiazole-5-carbonitrile
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