3-bromothiophene-2-carboxamide

C5H4BrNOS — CID 605721

IUPAC3-bromothiophene-2-carboxamide
SMILESNC(=O)c1sccc1Br
InChIInChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
InChIKeyKWXUWNXTRUZHNQ-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.61
Rot. Bonds1

About 3-bromothiophene-2-carboxamide

3-bromothiophene-2-carboxamide (PubChem CID 605721) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is 3-bromothiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromothiophene-2-carboxamide
PubChem CID605721
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC Name3-bromothiophene-2-carboxamide
SMILESNC(=O)c1sccc1Br
InChIInChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
InChIKeyKWXUWNXTRUZHNQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromothiophene-2-carboxamide?
The IUPAC name of 3-bromothiophene-2-carboxamide (CID 605721) is 3-bromothiophene-2-carboxamide.
What is the SMILES notation for 3-bromothiophene-2-carboxamide?
The canonical SMILES for 3-bromothiophene-2-carboxamide is NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-carboxamide?
The InChIKey is KWXUWNXTRUZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8).
What are the key properties of 3-bromothiophene-2-carboxamide?
3-bromothiophene-2-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 3-bromothiophene-2-carboxamide is sourced from PubChem (CID 605721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).