N-[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-4-carboxamide
Formula:C22H19N5OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H19N5OS |
| Smiles | O=C(c1ccncc1)N/N=C\c1c(-c2ccccc2)nc2sc(CCCC3)c3n12 |
| InChI | InChI=1S/C22H19N5OS/c28-21(16-10-12-23-13-11-16)26-24-14-18-20(15-6-2-1-3-7-15)25-22-27(18)17-8-4-5-9-19(17)29-22/h1-3,6-7,10-14H,4-5,8-9H2,(H,26,28) |
| InChIK | MLRGZUAOJGMVMD-UHFFFAOYSA-N |
| TotalMolweight | 401.493 |
| Molweight | 401.493 |
| MonoisotopicMass | 401.13103 |
| CLogP | 4.3711 |
| CLogS | -4.705 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307 |
| Relative PSA | 0.28098 |
| PolarSurfaceArea | 99.89 |
| Druglikeness | 1.133 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-4-carboxamide
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