N,N'-bis(1,3-thiazol-2-yl)methanimidamide
Formula:C7H6N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis(1,3-thiazol-2-yl)methanimidamide is a drug-like molecule.
| MolName | N,N'-bis(1,3-thiazol-2-yl)methanimidamide |
| MolecularFormula | C7H6N4S2 |
| Smiles | C(Nc1nccs1)=N/c1nccs1 |
| InChI | InChI=1S/C7H6N4S2/c1-3-12-6(8-1)10-5-11-7-9-2-4-13-7/h1-5H,(H,8,9,10,11) |
| InChIK | XVIAWTPJNLNQLJ-UHFFFAOYSA-N |
| TotalMolweight | 210.285 |
| Molweight | 210.285 |
| MonoisotopicMass | 210.003386 |
| CLogP | 1.6836 |
| CLogS | -2.811 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 158.64 |
| Relative PSA | 0.53978 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 1.1193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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