N-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C10H8N3BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C10H8N3BrS |
| Smiles | Brc1c(/C=N/Nc2nccs2)cccc1 |
| InChI | InChI=1S/C10H8BrN3S/c11-9-4-2-1-3-8(9)7-13-14-10-12-5-6-15-10/h1-7H,(H,12,14) |
| InChIK | QZSZUVLUNKHIIG-UHFFFAOYSA-N |
| TotalMolweight | 282.165 |
| Molweight | 282.165 |
| MonoisotopicMass | 280.962228 |
| CLogP | 5.1914 |
| CLogS | -3.716 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.57 |
| Relative PSA | 0.29742 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.2012 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazol-2-amine
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