7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid

C6H3BrN2O3S2 — CID 90738076

IUPAC7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid
SMILESO=S(=O)(O)c1ncc(Br)c2sncc12
InChIInChI=1S/C6H3BrN2O3S2/c7-4-2-8-6(14(10,11)12)3-1-9-13-5(3)4/h1-2H,(H,10,11,12)
InChIKeyHZYDNUZTYZTMBX-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.70
Rot. Bonds1

About 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid

7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid (PubChem CID 90738076) has the molecular formula C6H3BrN2O3S2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid.

Molecular Properties

Compound Name7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid
PubChem CID90738076
Molecular FormulaC6H3BrN2O3S2
Molecular Weight295.14 g/mol
Exact Mass293.88
IUPAC Name7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid
SMILESO=S(=O)(O)c1ncc(Br)c2sncc12
InChIInChI=1S/C6H3BrN2O3S2/c7-4-2-8-6(14(10,11)12)3-1-9-13-5(3)4/h1-2H,(H,10,11,12)
InChIKeyHZYDNUZTYZTMBX-UHFFFAOYSA-N
XLogP1.70
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid?
The IUPAC name of 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid (CID 90738076) is 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid.
What is the SMILES notation for 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid?
The canonical SMILES for 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid is O=S(=O)(O)c1ncc(Br)c2sncc12.
What is the InChIKey of 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid?
The InChIKey is HZYDNUZTYZTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O3S2/c7-4-2-8-6(14(10,11)12)3-1-9-13-5(3)4/h1-2H,(H,10,11,12).
What are the key properties of 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid?
7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid has a molecular weight of 295.14 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-[1,2]thiazolo[4,5-c]pyridine-4-sulfonic acid is sourced from PubChem (CID 90738076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).