N-[(Z)-furan-2-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
Formula:C16H14N6O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C16H14N6O3S |
| Smiles | O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H14N6O3S/c23-13(20-17-10-12-7-4-8-25-12)9-14-21-22-16(26-14)19-15(24)18-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,23)(H2,18,19,22,24) |
| InChIK | LCLJZDMXGZZMMH-UHFFFAOYSA-N |
| TotalMolweight | 370.392 |
| Molweight | 370.392 |
| MonoisotopicMass | 370.084809 |
| CLogP | 2.3728 |
| CLogS | -4.603 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 284.33 |
| Relative PSA | 0.45152 |
| PolarSurfaceArea | 149.75 |
| Druglikeness | 6.4718 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
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