N-[(Z)-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylideneamino]pyridine-3-carboxamide
Formula:C20H20N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H20N6OS |
| Smiles | O=C(c1cnccc1)N/N=C\c1cnc(N(CC2)CCN2c2ccccc2)s1 |
| InChI | InChI=1S/C20H20N6OS/c27-19(16-5-4-8-21-13-16)24-23-15-18-14-22-20(28-18)26-11-9-25(10-12-26)17-6-2-1-3-7-17/h1-8,13-15H,9-12H2,(H,24,27) |
| InChIK | PEOMBWQZLAPKKN-UHFFFAOYSA-N |
| TotalMolweight | 392.486 |
| Molweight | 392.486 |
| MonoisotopicMass | 392.141929 |
| CLogP | 3.1818 |
| CLogS | -4.219 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.35 |
| Relative PSA | 0.28249 |
| PolarSurfaceArea | 101.96 |
| Druglikeness | 8.855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylideneamino]pyridine-3-carboxamide
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