4-bromothiophene-3-carboxamide

C5H4BrNOS — CID 18938139

IUPAC4-bromothiophene-3-carboxamide
SMILESNC(=O)c1cscc1Br
InChIInChI=1S/C5H4BrNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8)
InChIKeyBMZBDWPOBVGKSU-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.61
Rot. Bonds1

About 4-bromothiophene-3-carboxamide

4-bromothiophene-3-carboxamide (PubChem CID 18938139) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is 4-bromothiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromothiophene-3-carboxamide
PubChem CID18938139
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC Name4-bromothiophene-3-carboxamide
SMILESNC(=O)c1cscc1Br
InChIInChI=1S/C5H4BrNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8)
InChIKeyBMZBDWPOBVGKSU-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromothiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromothiophene-3-carboxamide?
The IUPAC name of 4-bromothiophene-3-carboxamide (CID 18938139) is 4-bromothiophene-3-carboxamide.
What is the SMILES notation for 4-bromothiophene-3-carboxamide?
The canonical SMILES for 4-bromothiophene-3-carboxamide is NC(=O)c1cscc1Br.
What is the InChIKey of 4-bromothiophene-3-carboxamide?
The InChIKey is BMZBDWPOBVGKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8).
What are the key properties of 4-bromothiophene-3-carboxamide?
4-bromothiophene-3-carboxamide has a molecular weight of 206.06 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-3-carboxamide is sourced from PubChem (CID 18938139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).