2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide

C11H8Br2N2OS — CID 103738893

IUPAC2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cncc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C11H8Br2N2OS/c1-6-2-7(5-14-4-6)15-11(16)8-3-9(12)17-10(8)13/h2-5H,1H3,(H,15,16)
InChIKeyCGNLCRZVDAKQFZ-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.23
Rot. Bonds2

About 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide

2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 103738893) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID103738893
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC Name2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cncc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C11H8Br2N2OS/c1-6-2-7(5-14-4-6)15-11(16)8-3-9(12)17-10(8)13/h2-5H,1H3,(H,15,16)
InChIKeyCGNLCRZVDAKQFZ-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114019626
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
CID 107587050
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 107586704
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
4-hydrazinyl-2-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586747
2-fluoro-4-hydroxy-N-(5-methyl-3-pyridinyl)benzamide
CID 107676884
N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 113237224

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide (CID 103738893) is 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide is Cc1cncc(NC(=O)c2cc(Br)sc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is CGNLCRZVDAKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c1-6-2-7(5-14-4-6)15-11(16)8-3-9(12)17-10(8)13/h2-5H,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide?
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 376.07 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 103738893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).