(1Z)-2-amino-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethanimidoyl cyanide
Formula:C12H10N6O3S2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(1Z)-2-amino-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethanimidoyl cyanide |
| MolecularFormula | C12H10N6O3S2 |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1S(Nc1nccs1)(=O)=O)=O |
| InChI | InChI=1S/C12H10N6O3S2/c13-7-10(11(14)19)17-16-8-1-3-9(4-2-8)23(20,21)18-12-15-5-6-22-12/h1-6,16H,(H2,14,19)(H,15,18) |
| InChIK | ASUNWDMHUSWGGI-UHFFFAOYSA-N |
| TotalMolweight | 350.382 |
| Molweight | 350.382 |
| MonoisotopicMass | 350.025579 |
| CLogP | 1.1225 |
| CLogS | -2.88 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 250.17 |
| Relative PSA | 0.54447 |
| PolarSurfaceArea | 186.95 |
| Druglikeness | 1.6629 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (1Z)-2-amino-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethanimidoyl cyanide | 2 - (1Z)-2-amino-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethanimidoyl cyanide
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