N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C12H9N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C12H9N3S2 |
| Smiles | C(c1cccs1)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C12H9N3S2/c1-2-6-11-10(5-1)14-12(17-11)15-13-8-9-4-3-7-16-9/h1-8H,(H,14,15) |
| InChIK | YHGVHRFSRANAMU-UHFFFAOYSA-N |
| TotalMolweight | 259.356 |
| Molweight | 259.356 |
| MonoisotopicMass | 259.023787 |
| CLogP | 5.5099 |
| CLogS | -4.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 194.48 |
| Relative PSA | 0.3839 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 4.142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off