N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-2-carboxamide
Formula:C19H19N5OS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C19H19N5OS2 |
| Smiles | O=C(c1ncccc1)N/N=C\c1c(-c2cccs2)nc(N2CCCCC2)s1 |
| InChI | InChI=1S/C19H19N5OS2/c25-18(14-7-2-3-9-20-14)23-21-13-16-17(15-8-6-12-26-15)22-19(27-16)24-10-4-1-5-11-24/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25) |
| InChIK | OZUIDOWWKWIYEG-UHFFFAOYSA-N |
| TotalMolweight | 397.526 |
| Molweight | 397.526 |
| MonoisotopicMass | 397.1031 |
| CLogP | 4.5689 |
| CLogS | -5.484 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.75 |
| Relative PSA | 0.33876 |
| PolarSurfaceArea | 126.96 |
| Druglikeness | 6.0231 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-2-carboxamide
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