2-amino-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-3-carboxamide
Formula:C17H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-3-carboxamide |
| MolecularFormula | C17H14N4OS |
| Smiles | Nc(sc(-c1ccccc1)c1)c1C(N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C17H14N4OS/c18-16-14(10-15(23-16)13-4-2-1-3-5-13)17(22)21-20-11-12-6-8-19-9-7-12/h1-11H,18H2,(H,21,22) |
| InChIK | ZXORFQYEMHDVRB-UHFFFAOYSA-N |
| TotalMolweight | 322.391 |
| Molweight | 322.391 |
| MonoisotopicMass | 322.088831 |
| CLogP | 3.3957 |
| CLogS | -5.159 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.97 |
| Relative PSA | 0.33048 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | 6.2307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-amino-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-3-carboxamide | 2 - 2-amino-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off