N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide
Formula:C20H19N5O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H19N5O2S |
| Smiles | O=C(c1ccncc1)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C20H19N5O2S/c26-19(16-6-8-21-9-7-16)24-22-14-17-18(15-4-2-1-3-5-15)23-20(28-17)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H,24,26) |
| InChIK | OOHROZDOWHTEIY-UHFFFAOYSA-N |
| TotalMolweight | 393.47 |
| Molweight | 393.47 |
| MonoisotopicMass | 393.125945 |
| CLogP | 3.3274 |
| CLogS | -4.65 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.05 |
| Relative PSA | 0.30412 |
| PolarSurfaceArea | 107.95 |
| Druglikeness | 6.1657 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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 | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide
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