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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Related Compounds

2-[(2,4-dihydroxyphenyl)diazenyl]-1,3-thiazole-4-carboxylic acid
CID 137208528
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
CID 158518155
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
1-[2-[[4-[2-chloroethyl(methyl)amino]-2-hydroxyphenyl]diazenyl]-1,3-thiazol-5-yl]ethanone
CID 143874215
8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol
CID 139387306
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate
CID 3343252
chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
CID 163360142
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
CID 135552954
4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135554972
5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
CID 158043650
methyl 2-(2,4-dihydroxyphenyl)iminoacetate;hydrochloride
CID 53438904
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759

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).