N-[(Z)-furan-2-ylmethylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
Formula:C15H12N6O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide |
| MolecularFormula | C15H12N6O3S |
| Smiles | O=C(c1c(NC(Nc2ccccc2)=O)snn1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H12N6O3S/c22-13(20-16-9-11-7-4-8-24-11)12-14(25-21-19-12)18-15(23)17-10-5-2-1-3-6-10/h1-9H,(H,20,22)(H2,17,18,23) |
| InChIK | JAUIFBCNTQOXFV-UHFFFAOYSA-N |
| TotalMolweight | 356.365 |
| Molweight | 356.365 |
| MonoisotopicMass | 356.069159 |
| CLogP | 2.7061 |
| CLogS | -5.242 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 270.57 |
| Relative PSA | 0.47448 |
| PolarSurfaceArea | 149.75 |
| Druglikeness | 1.1941 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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