N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
Formula:C17H20N4OS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C17H20N4OS2 |
| Smiles | O=C(C1CC1)N/N=C\c1c(-c2cccs2)nc(N2CCCCC2)s1 |
| InChI | InChI=1S/C17H20N4OS2/c22-16(12-6-7-12)20-18-11-14-15(13-5-4-10-23-13)19-17(24-14)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H,20,22) |
| InChIK | ACSNUPGSJBXXDR-UHFFFAOYSA-N |
| TotalMolweight | 360.505 |
| Molweight | 360.505 |
| MonoisotopicMass | 360.107851 |
| CLogP | 4.3901 |
| CLogS | -5.601 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.75 |
| Relative PSA | 0.33828 |
| PolarSurfaceArea | 114.07 |
| Druglikeness | 7.1088 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
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