N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
Formula:C12H8N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C12H8N5OClS |
| Smiles | O=C(c1cnccc1)N/N=C\c(n(ccs1)c1n1)c1Cl |
| InChI | InChI=1S/C12H8ClN5OS/c13-10-9(18-4-5-20-12(18)16-10)7-15-17-11(19)8-2-1-3-14-6-8/h1-7H,(H,17,19) |
| InChIK | DWFOQGOAILHGJS-UHFFFAOYSA-N |
| TotalMolweight | 305.749 |
| Molweight | 305.749 |
| MonoisotopicMass | 305.013807 |
| CLogP | 2.0313 |
| CLogS | -2.2 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 221.12 |
| Relative PSA | 0.3901 |
| PolarSurfaceArea | 99.89 |
| Druglikeness | 5.62 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
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