2-amino-5-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]thiophene-3-carboxamide
Formula:C16H13N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-5-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]thiophene-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-5-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]thiophene-3-carboxamide |
| MolecularFormula | C16H13N3OS2 |
| Smiles | Nc(sc(-c1ccccc1)c1)c1C(N/N=C/c1cccs1)=O |
| InChI | InChI=1S/C16H13N3OS2/c17-15-13(9-14(22-15)11-5-2-1-3-6-11)16(20)19-18-10-12-7-4-8-21-12/h1-10H,17H2,(H,19,20) |
| InChIK | AIINVDLXGRQIOM-UHFFFAOYSA-N |
| TotalMolweight | 327.431 |
| Molweight | 327.431 |
| MonoisotopicMass | 327.050002 |
| CLogP | 4.2632 |
| CLogS | -5.964 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.15 |
| Relative PSA | 0.37224 |
| PolarSurfaceArea | 123.96 |
| Druglikeness | 6.664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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