N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]quinoline-2-carboxamide
Formula:C25H23N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C25H23N5OS |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c1c(-c2ccccc2)nc(N2CCCCC2)s1 |
| InChI | InChI=1S/C25H23N5OS/c31-24(21-14-13-18-9-5-6-12-20(18)27-21)29-26-17-22-23(19-10-3-1-4-11-19)28-25(32-22)30-15-7-2-8-16-30/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,29,31) |
| InChIK | KXVKPJZDQUYTGR-UHFFFAOYSA-N |
| TotalMolweight | 441.558 |
| Molweight | 441.558 |
| MonoisotopicMass | 441.16233 |
| CLogP | 5.8623 |
| CLogS | -7.064 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.41 |
| Relative PSA | 0.24047 |
| PolarSurfaceArea | 98.72 |
| Druglikeness | 5.3504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]quinoline-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off