N-[(Z)-[(2Z)-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide
Formula:C14H24N6S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[(2Z)-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide is a drug-like molecule.
| MolName | N-[(Z)-[(2Z)-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide |
| MolecularFormula | C14H24N6S2 |
| Smiles | S=C(N/N=C\C=N/NC(N1CCCCC1)=S)N1CCCCC1 |
| InChI | InChI=1S/C14H24N6S2/c21-13(19-9-3-1-4-10-19)17-15-7-8-16-18-14(22)20-11-5-2-6-12-20/h7-8H,1-6,9-12H2,(H,17,21)(H,18,22) |
| InChIK | CWFKUWZANGTEQS-UHFFFAOYSA-N |
| TotalMolweight | 340.519 |
| Molweight | 340.519 |
| MonoisotopicMass | 340.150384 |
| CLogP | 2.0794 |
| CLogS | -3.336 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 282.56 |
| Relative PSA | 0.3859 |
| PolarSurfaceArea | 119.44 |
| Druglikeness | 2.3967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 12 |
| Symmetricatoms | 13 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(2Z)-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide | 2 - N-[(Z)-[(2Z)-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off