(E)-3-(2-cyanophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Formula:C13H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-cyanophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-cyanophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C13H9N3OS |
| Smiles | N#Cc1c(/C=C/C(Nc2nccs2)=O)cccc1 |
| InChI | InChI=1S/C13H9N3OS/c14-9-11-4-2-1-3-10(11)5-6-12(17)16-13-15-7-8-18-13/h1-8H,(H,15,16,17) |
| InChIK | RNDXFPRUXOKVLG-UHFFFAOYSA-N |
| TotalMolweight | 255.3 |
| Molweight | 255.3 |
| MonoisotopicMass | 255.046632 |
| CLogP | 2.5972 |
| CLogS | -4.004 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 205.14 |
| Relative PSA | 0.33826 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | -3.7036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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