N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]cyclopropanecarboxamide
Formula:C13H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C13H17N3O2S |
| Smiles | O=C(C1CC1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C13H17N3O2S/c17-13(10-1-2-10)15-14-9-11-3-4-12(19-11)16-5-7-18-8-6-16/h3-4,9-10H,1-2,5-8H2,(H,15,17) |
| InChIK | JJODUCVNJRWWTP-UHFFFAOYSA-N |
| TotalMolweight | 279.363 |
| Molweight | 279.363 |
| MonoisotopicMass | 279.104147 |
| CLogP | 1.8011 |
| CLogS | -3.33 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.53 |
| Relative PSA | 0.33054 |
| PolarSurfaceArea | 82.17 |
| Druglikeness | 7.3796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]cyclopropanecarboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off