N-[(Z)-(4-cyanophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
Formula:C15H11N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide |
| MolecularFormula | C15H11N5OS |
| Smiles | N#Cc1ccc(/C=N\NC(Cc2cn(ccs3)c3n2)=O)cc1 |
| InChI | InChI=1S/C15H11N5OS/c16-8-11-1-3-12(4-2-11)9-17-19-14(21)7-13-10-20-5-6-22-15(20)18-13/h1-6,9-10H,7H2,(H,19,21) |
| InChIK | WAOGMUUJIPGPRR-UHFFFAOYSA-N |
| TotalMolweight | 309.352 |
| Molweight | 309.352 |
| MonoisotopicMass | 309.06843 |
| CLogP | 2.1625 |
| CLogS | -3.234 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.41 |
| Relative PSA | 0.36653 |
| PolarSurfaceArea | 110.79 |
| Druglikeness | 1.2429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
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