N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Formula:C14H13N3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H13N3Cl2S |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1nc(CCCC2)c2s1 |
| InChI | InChI=1S/C14H13Cl2N3S/c15-10-4-3-5-11(16)9(10)8-17-19-14-18-12-6-1-2-7-13(12)20-14/h3-5,8H,1-2,6-7H2,(H,18,19) |
| InChIK | ZPGLNZNISPMFJJ-UHFFFAOYSA-N |
| TotalMolweight | 326.25 |
| Molweight | 326.25 |
| MonoisotopicMass | 325.020721 |
| CLogP | 6.9712 |
| CLogS | -5.58 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.32 |
| Relative PSA | 0.22977 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -1.0773 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off