N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C9H8N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C9H8N4S |
| Smiles | C(c1cnccc1)=N/Nc1nccs1 |
| InChI | InChI=1S/C9H8N4S/c1-2-8(6-10-3-1)7-12-13-9-11-4-5-14-9/h1-7H,(H,11,13) |
| InChIK | CFXNYKMXCRGETH-UHFFFAOYSA-N |
| TotalMolweight | 204.257 |
| Molweight | 204.257 |
| MonoisotopicMass | 204.046966 |
| CLogP | 3.4653 |
| CLogS | -2.087 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 162.7 |
| Relative PSA | 0.40117 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 2.9912 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
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