N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
Formula:C15H17N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C15H17N3O2S |
| Smiles | O=C(c1cccs1)N/N=C\c1ccc(N2CCCCC2)o1 |
| InChI | InChI=1S/C15H17N3O2S/c19-15(13-5-4-10-21-13)17-16-11-12-6-7-14(20-12)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,19) |
| InChIK | CCICDPRDLMVYLF-UHFFFAOYSA-N |
| TotalMolweight | 303.385 |
| Molweight | 303.385 |
| MonoisotopicMass | 303.104147 |
| CLogP | 3.4413 |
| CLogS | -4.93 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.22 |
| Relative PSA | 0.31076 |
| PolarSurfaceArea | 86.08 |
| Druglikeness | 7.3897 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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