5-bromo-N-hydroxythiophene-2-carboxamide

C5H4BrNO2S — CID 4962509

IUPAC5-bromo-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(Br)s1
InChIInChI=1S/C5H4BrNO2S/c6-4-2-1-3(10-4)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyDUAVGTBNUROKDD-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.63
Rot. Bonds1

About 5-bromo-N-hydroxythiophene-2-carboxamide

5-bromo-N-hydroxythiophene-2-carboxamide (PubChem CID 4962509) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is 5-bromo-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-hydroxythiophene-2-carboxamide
PubChem CID4962509
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name5-bromo-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(Br)s1
InChIInChI=1S/C5H4BrNO2S/c6-4-2-1-3(10-4)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyDUAVGTBNUROKDD-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'}

Analyze 5-bromo-N-hydroxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxythiophene-2-carboxamide
CID 239511
5-ethynyl-N-hydroxythiophene-2-carboxamide
CID 71513761
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Bromothiophene-2-carboxamide
CID 605722
3-Bromothiophene-2-carboxamide
CID 605721
4-Bromo-2-thiophenecarboxamide
CID 12836067
5-Bromo-N-methylthiophene-2-carboxamide
CID 21791103
3,5-Dibromothiophene-2-carboxamide
CID 85536412
N-methoxythiophene-2-carboxamide
CID 13564048
5-(Bromoacetyl)thiophene-2-carboxamide
CID 20550935
5-Bromo-3-fluoro-n-methoxy-n-methyl-2-thiophenecarboxamide
CID 89095286
5-Bromo-3-fluorothiophene-2-carboxamide
CID 121229185

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-hydroxythiophene-2-carboxamide (CID 4962509) is 5-bromo-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-hydroxythiophene-2-carboxamide is O=C(NO)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-hydroxythiophene-2-carboxamide?
The InChIKey is DUAVGTBNUROKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c6-4-2-1-3(10-4)5(8)7-9/h1-2,9H,(H,7,8).
What are the key properties of 5-bromo-N-hydroxythiophene-2-carboxamide?
5-bromo-N-hydroxythiophene-2-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-2-carboxamide is sourced from PubChem (CID 4962509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).