4-bromothiophene-2-carboxamide

C5H4BrNOS — CID 12836067

IUPAC4-bromothiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKeyWPIFYCRDSOUHLT-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.61
Rot. Bonds1

About 4-bromothiophene-2-carboxamide

4-bromothiophene-2-carboxamide (PubChem CID 12836067) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is 4-bromothiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromothiophene-2-carboxamide
PubChem CID12836067
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC Name4-bromothiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKeyWPIFYCRDSOUHLT-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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Related Compounds

2-Thiophenecarboxamide
CID 22063
N-hydroxythiophene-2-carboxamide
CID 239511
4-Bromothiophene-2-carbohydrazide
CID 843260
4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
5-bromo-N-hydroxythiophene-2-carboxamide
CID 4962509
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Bromothiophene-2-carboxamide
CID 605722
4-Methylthiophene-2-carboxamide
CID 2795529
5-(Methylsulfanyl)thiophene-2-carboxamide
CID 2740419
3-Bromothiophene-2-carboxamide
CID 605721
5-Bromo-N-methylthiophene-2-carboxamide
CID 21791103
5-Bromo-3-chlorothiophene-2-carboxamide
CID 155820779

Frequently Asked Questions

What is the IUPAC name of 4-bromothiophene-2-carboxamide?
The IUPAC name of 4-bromothiophene-2-carboxamide (CID 12836067) is 4-bromothiophene-2-carboxamide.
What is the SMILES notation for 4-bromothiophene-2-carboxamide?
The canonical SMILES for 4-bromothiophene-2-carboxamide is NC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-carboxamide?
The InChIKey is WPIFYCRDSOUHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8).
What are the key properties of 4-bromothiophene-2-carboxamide?
4-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 4-bromothiophene-2-carboxamide is sourced from PubChem (CID 12836067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).