N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-2-cyanoacetamide
Formula:C10H11N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-2-cyanoacetamide |
| MolecularFormula | C10H11N5OS |
| Smiles | N/C(/CSc1ncccc1)=N/NC(CC#N)=O |
| InChI | InChI=1S/C10H11N5OS/c11-5-4-9(16)15-14-8(12)7-17-10-3-1-2-6-13-10/h1-3,6H,4,7H2,(H2,12,14)(H,15,16) |
| InChIK | XVDMAZWPMSGDPE-UHFFFAOYSA-N |
| TotalMolweight | 249.297 |
| Molweight | 249.297 |
| MonoisotopicMass | 249.06843 |
| CLogP | -0.0789 |
| CLogS | -2.244 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.44 |
| Relative PSA | 0.46781 |
| PolarSurfaceArea | 129.46 |
| Druglikeness | -3.7716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-2-cyanoacetamide | 2 - N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-2-cyanoacetamide
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