5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide

C13H9BrN4OS — CID 47074108

IUPAC5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccnc1-n1ccnc1)c1csc(Br)c1
InChIInChI=1S/C13H9BrN4OS/c14-11-6-9(7-20-11)13(19)17-10-2-1-3-16-12(10)18-5-4-15-8-18/h1-8H,(H,17,19)
InChIKeyDBRZZOLHNWZRGJ-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide

5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 47074108) has the molecular formula C13H9BrN4OS and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID47074108
Molecular FormulaC13H9BrN4OS
Molecular Weight349.21 g/mol
Exact Mass347.97
IUPAC Name5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccnc1-n1ccnc1)c1csc(Br)c1
InChIInChI=1S/C13H9BrN4OS/c14-11-6-9(7-20-11)13(19)17-10-2-1-3-16-12(10)18-5-4-15-8-18/h1-8H,(H,17,19)
InChIKeyDBRZZOLHNWZRGJ-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
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CID 60793810
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
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2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
CID 154814577
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 107966029
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
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N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide (CID 47074108) is 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide is O=C(Nc1cccnc1-n1ccnc1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is DBRZZOLHNWZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4OS/c14-11-6-9(7-20-11)13(19)17-10-2-1-3-16-12(10)18-5-4-15-8-18/h1-8H,(H,17,19).
What are the key properties of 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 47074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).