N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C10H7N3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C10H7N3Cl2S |
| Smiles | Clc1cccc(Cl)c1/C=N/Nc1nccs1 |
| InChI | InChI=1S/C10H7Cl2N3S/c11-8-2-1-3-9(12)7(8)6-14-15-10-13-4-5-16-10/h1-6H,(H,13,15) |
| InChIK | JRVAKFFUGUGNMW-UHFFFAOYSA-N |
| TotalMolweight | 272.159 |
| Molweight | 272.159 |
| MonoisotopicMass | 270.973771 |
| CLogP | 5.6782 |
| CLogS | -4.354 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 194.78 |
| Relative PSA | 0.27878 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.0067 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
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