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

C12H12N2OS — CID 24686059

IUPAC3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)nc1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-10(13-7-8)14-12(15)11-9(2)5-6-16-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXYFJYFZPDDBKJG-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.01
Rot. Bonds2

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

3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 24686059) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID24686059
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)nc1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-10(13-7-8)14-12(15)11-9(2)5-6-16-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXYFJYFZPDDBKJG-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 24686059) is 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2C)nc1.
What is the InChIKey of 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is XYFJYFZPDDBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-3-4-10(13-7-8)14-12(15)11-9(2)5-6-16-11/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 24686059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).