5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide

C8H6BrN3OS — CID 63563510

IUPAC5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)7(13)12-8-10-3-4-11-8/h1-4H,(H2,10,11,12,13)
InChIKeyCDBRLIUUDXEDCG-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide

5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide (PubChem CID 63563510) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
PubChem CID63563510
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC Name5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)7(13)12-8-10-3-4-11-8/h1-4H,(H2,10,11,12,13)
InChIKeyCDBRLIUUDXEDCG-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide (CID 63563510) is 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc[nH]1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CDBRLIUUDXEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c9-6-2-1-5(14-6)7(13)12-8-10-3-4-11-8/h1-4H,(H2,10,11,12,13).
What are the key properties of 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide?
5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 63563510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).