(Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
Formula:C22H16N3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C22H16N3F3S2 |
| Smiles | FC(c1ccc(/C=N\N(C(c2cccs2)=CS2)/C2=N/Cc2ccccc2)cc1)(F)F |
| InChI | InChI=1S/C22H16F3N3S2/c23-22(24,25)18-10-8-17(9-11-18)14-27-28-19(20-7-4-12-29-20)15-30-21(28)26-13-16-5-2-1-3-6-16/h1-12,14-15H,13H2 |
| InChIK | HPWKOALQPDYHOM-UHFFFAOYSA-N |
| TotalMolweight | 443.516 |
| Molweight | 443.516 |
| MonoisotopicMass | 443.073771 |
| CLogP | 6.183 |
| CLogS | -6.583 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.67 |
| Relative PSA | 0.20215 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | -1.173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
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