(E)-2-cyano-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)prop-2-enamide
Formula:C12H8N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C12H8N4OS |
| Smiles | N#C/C(/C(Nc1nccs1)=O)=C\c1cnccc1 |
| InChI | InChI=1S/C12H8N4OS/c13-7-10(6-9-2-1-3-14-8-9)11(17)16-12-15-4-5-18-12/h1-6,8H,(H,15,16,17) |
| InChIK | RNCJHSLXWWNCDB-UHFFFAOYSA-N |
| TotalMolweight | 256.289 |
| Molweight | 256.289 |
| MonoisotopicMass | 256.041881 |
| CLogP | 1.6127 |
| CLogS | -2.708 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 202.11 |
| Relative PSA | 0.39761 |
| PolarSurfaceArea | 106.91 |
| Druglikeness | -0.89837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! thiazol-2-ylamine |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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