5-bromo-N-hydroxythiophene-3-carboxamide

C5H4BrNO2S — CID 103612145

IUPAC5-bromo-N-hydroxythiophene-3-carboxamide
SMILESO=C(NO)c1csc(Br)c1
InChIInChI=1S/C5H4BrNO2S/c6-4-1-3(2-10-4)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyDMOXFLZNGOQISD-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.63
Rot. Bonds1

About 5-bromo-N-hydroxythiophene-3-carboxamide

5-bromo-N-hydroxythiophene-3-carboxamide (PubChem CID 103612145) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is 5-bromo-N-hydroxythiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-hydroxythiophene-3-carboxamide
PubChem CID103612145
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name5-bromo-N-hydroxythiophene-3-carboxamide
SMILESO=C(NO)c1csc(Br)c1
InChIInChI=1S/C5H4BrNO2S/c6-4-1-3(2-10-4)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyDMOXFLZNGOQISD-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hydroxythiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-hydroxythiophene-3-carboxamide (CID 103612145) is 5-bromo-N-hydroxythiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-hydroxythiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-hydroxythiophene-3-carboxamide is O=C(NO)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-hydroxythiophene-3-carboxamide?
The InChIKey is DMOXFLZNGOQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c6-4-1-3(2-10-4)5(8)7-9/h1-2,9H,(H,7,8).
What are the key properties of 5-bromo-N-hydroxythiophene-3-carboxamide?
5-bromo-N-hydroxythiophene-3-carboxamide has a molecular weight of 222.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hydroxythiophene-3-carboxamide is sourced from PubChem (CID 103612145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).