6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol

C13H8BrN3OS — CID 135718166

IUPAC6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1/N=N/c1nccs1
InChIInChI=1S/C13H8BrN3OS/c14-9-2-3-10-8(7-9)1-4-11(18)12(10)16-17-13-15-5-6-19-13/h1-7,18H/b17-16+
InChIKeyQRBGIICAQIRPSZ-WUKNDPDISA-N
MW334.20 g/mol
LogP5.18
Rot. Bonds2

About 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol

6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol (PubChem CID 135718166) has the molecular formula C13H8BrN3OS and a molecular weight of 334.20 g/mol. Its IUPAC name is 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
PubChem CID135718166
Molecular FormulaC13H8BrN3OS
Molecular Weight334.20 g/mol
Exact Mass332.96
IUPAC Name6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1/N=N/c1nccs1
InChIInChI=1S/C13H8BrN3OS/c14-9-2-3-10-8(7-9)1-4-11(18)12(10)16-17-13-15-5-6-19-13/h1-7,18H/b17-16+
InChIKeyQRBGIICAQIRPSZ-WUKNDPDISA-N
XLogP5.18
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol (CID 135718166) is 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1/N=N/c1nccs1.
What is the InChIKey of 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol?
The InChIKey is QRBGIICAQIRPSZ-WUKNDPDISA-N. The full InChI is InChI=1S/C13H8BrN3OS/c14-9-2-3-10-8(7-9)1-4-11(18)12(10)16-17-13-15-5-6-19-13/h1-7,18H/b17-16+.
What are the key properties of 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol?
6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol has a molecular weight of 334.20 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 135718166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).