N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
Formula:C12H10N8O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide |
| MolecularFormula | C12H10N8O3S |
| Smiles | O=C(Cc1nnc(NC(c2ncn[nH]2)=O)s1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C12H10N8O3S/c21-8(17-14-5-7-2-1-3-23-7)4-9-18-20-12(24-9)16-11(22)10-13-6-15-19-10/h1-3,5-6H,4H2,(H,17,21)(H,13,15,19)(H,16,20,22) |
| InChIK | YBQANGJLXYPSQZ-UHFFFAOYSA-N |
| TotalMolweight | 346.33 |
| Molweight | 346.33 |
| MonoisotopicMass | 346.059657 |
| CLogP | 0.0383 |
| CLogS | -2.321 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 259.96 |
| Relative PSA | 0.58798 |
| PolarSurfaceArea | 179.29 |
| Druglikeness | 7.6889 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide | 2 - N-[5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
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