N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
Formula:C16H13N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide |
| MolecularFormula | C16H13N3O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc1nccs1)=O |
| InChI | InChI=1S/C16H13N3O2S2/c20-23(21,14-9-5-2-6-10-14)19-15(13-7-3-1-4-8-13)18-16-17-11-12-22-16/h1-12H,(H,17,18,19) |
| InChIK | FQCPXQBARWPSCB-UHFFFAOYSA-N |
| TotalMolweight | 343.43 |
| Molweight | 343.43 |
| MonoisotopicMass | 343.044917 |
| CLogP | 3.635 |
| CLogS | -3.953 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.49 |
| Relative PSA | 0.33087 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | -5.0089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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