(E)-3-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
Formula:C9H8N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide |
| MolecularFormula | C9H8N4OS |
| Smiles | O=C(/C=C/c1cccs1)Nc1ncn[nH]1 |
| InChI | InChI=1S/C9H8N4OS/c14-8(12-9-10-6-11-13-9)4-3-7-2-1-5-15-7/h1-6H,(H2,10,11,12,13,14) |
| InChIK | MDFWEFKGRHCWPJ-UHFFFAOYSA-N |
| TotalMolweight | 220.256 |
| Molweight | 220.256 |
| MonoisotopicMass | 220.041881 |
| CLogP | 1.1423 |
| CLogS | -2.729 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 171.76 |
| Relative PSA | 0.47037 |
| PolarSurfaceArea | 98.91 |
| Druglikeness | 3.7688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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