N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]thiophene-2-carboxamide
Formula:C12H9N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C12H9N4OF3S |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/NC(c1cccs1)=O |
| InChI | InChI=1S/C12H9F3N4OS/c13-12(14,15)7-3-4-8(17-6-7)10(16)18-19-11(20)9-2-1-5-21-9/h1-6H,(H2,16,18)(H,19,20) |
| InChIK | UKSJGICEXULMTF-UHFFFAOYSA-N |
| TotalMolweight | 314.29 |
| Molweight | 314.29 |
| MonoisotopicMass | 314.044915 |
| CLogP | 2.1236 |
| CLogS | -3.503 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.88 |
| Relative PSA | 0.37915 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | -2.08 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]thiophene-2-carboxamide | 2 - N-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off