N-[(Z)-(2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C17H17N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C17H17N4OF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c1cnc(N2CCCCC2)s1 |
| InChI | InChI=1S/C17H17F3N4OS/c18-17(19,20)13-6-4-12(5-7-13)15(25)23-22-11-14-10-21-16(26-14)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,23,25) |
| InChIK | SGIKIVKAAUXJSU-UHFFFAOYSA-N |
| TotalMolweight | 382.409 |
| Molweight | 382.409 |
| MonoisotopicMass | 382.107515 |
| CLogP | 4.5904 |
| CLogS | -5.334 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.75 |
| Relative PSA | 0.25615 |
| PolarSurfaceArea | 85.83 |
| Druglikeness | -1.985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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