N,N'-bis(1,3-benzothiazol-2-yl)methanimidamide
Formula:C15H10N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis(1,3-benzothiazol-2-yl)methanimidamide is a drug-like molecule.
| MolName | N,N'-bis(1,3-benzothiazol-2-yl)methanimidamide |
| MolecularFormula | C15H10N4S2 |
| Smiles | C(Nc1nc(cccc2)c2s1)=N/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C15H10N4S2/c1-3-7-12-10(5-1)18-14(20-12)16-9-17-15-19-11-6-2-4-8-13(11)21-15/h1-9H,(H,16,17,18,19) |
| InChIK | NIPRVEVKPSHDBB-UHFFFAOYSA-N |
| TotalMolweight | 310.404 |
| Molweight | 310.404 |
| MonoisotopicMass | 310.034686 |
| CLogP | 4.0378 |
| CLogS | -5.279 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.84 |
| Relative PSA | 0.37583 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 0.56312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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