N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
Formula:C19H14N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C19H14N4S |
| Smiles | c(cc1)ccc1/C(/c1ncccc1)=N/Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C19H14N4S/c1-2-8-14(9-3-1)18(16-11-6-7-13-20-16)22-23-19-21-15-10-4-5-12-17(15)24-19/h1-13H,(H,21,23) |
| InChIK | YAMFSZLGGBDHDG-UHFFFAOYSA-N |
| TotalMolweight | 330.414 |
| Molweight | 330.414 |
| MonoisotopicMass | 330.093916 |
| CLogP | 5.8931 |
| CLogS | -5.121 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.27 |
| Relative PSA | 0.25569 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 1.6463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off