4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide

C12H11BrN2OS — CID 1247729

IUPAC4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccnc2)cc1Br
InChIInChI=1S/C12H11BrN2OS/c1-2-10-9(13)6-11(17-10)12(16)15-8-4-3-5-14-7-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyFGAGRUDZXXLICD-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.72
Rot. Bonds3

About 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide

4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 1247729) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID1247729
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccnc2)cc1Br
InChIInChI=1S/C12H11BrN2OS/c1-2-10-9(13)6-11(17-10)12(16)15-8-4-3-5-14-7-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyFGAGRUDZXXLICD-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide (CID 1247729) is 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cccnc2)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is FGAGRUDZXXLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-2-10-9(13)6-11(17-10)12(16)15-8-4-3-5-14-7-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide?
4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 1247729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).