4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol

C9H6BrN3O2S — CID 136759465

IUPAC4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ncc(Br)s2)c(O)c1
InChIInChI=1S/C9H6BrN3O2S/c10-8-4-11-9(16-8)13-12-6-2-1-5(14)3-7(6)15/h1-4,14-15H/b13-12+
InChIKeyPPYABIITGLDLCG-OUKQBFOZSA-N
MW300.14 g/mol
LogP3.73
Rot. Bonds2

About 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol

4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol (PubChem CID 136759465) has the molecular formula C9H6BrN3O2S and a molecular weight of 300.14 g/mol. Its IUPAC name is 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
PubChem CID136759465
Molecular FormulaC9H6BrN3O2S
Molecular Weight300.14 g/mol
Exact Mass298.94
IUPAC Name4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ncc(Br)s2)c(O)c1
InChIInChI=1S/C9H6BrN3O2S/c10-8-4-11-9(16-8)13-12-6-2-1-5(14)3-7(6)15/h1-4,14-15H/b13-12+
InChIKeyPPYABIITGLDLCG-OUKQBFOZSA-N
XLogP3.73
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol (CID 136759465) is 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol is Oc1ccc(/N=N/c2ncc(Br)s2)c(O)c1.
What is the InChIKey of 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol?
The InChIKey is PPYABIITGLDLCG-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H6BrN3O2S/c10-8-4-11-9(16-8)13-12-6-2-1-5(14)3-7(6)15/h1-4,14-15H/b13-12+.
What are the key properties of 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol?
4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol has a molecular weight of 300.14 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 136759465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).