N,N'-bis(4-phenyl-1,3-thiazol-2-yl)methanimidamide
Formula:C19H14N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis(4-phenyl-1,3-thiazol-2-yl)methanimidamide is not a drug-like molecule.
| MolName | N,N'-bis(4-phenyl-1,3-thiazol-2-yl)methanimidamide |
| MolecularFormula | C19H14N4S2 |
| Smiles | C(Nc1nc(-c2ccccc2)cs1)=N/c1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C19H14N4S2/c1-3-7-14(8-4-1)16-11-24-18(22-16)20-13-21-19-23-17(12-25-19)15-9-5-2-6-10-15/h1-13H,(H,20,21,22,23) |
| InChIK | HXQLRGUCFWAFSZ-UHFFFAOYSA-N |
| TotalMolweight | 362.48 |
| Molweight | 362.48 |
| MonoisotopicMass | 362.065986 |
| CLogP | 5.184 |
| CLogS | -6.367 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.16 |
| Relative PSA | 0.30784 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 2.3267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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