2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide

C12H14N2OS — CID 166058665

IUPAC2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(-n2c(C)ccc2C)s1
InChIInChI=1S/C12H14N2OS/c1-7-4-5-8(2)14(7)12-10(11(13)15)6-9(3)16-12/h4-6H,1-3H3,(H2,13,15)
InChIKeyWIOVEBLKOBRTJY-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.56
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide

2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide (PubChem CID 166058665) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide
PubChem CID166058665
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(-n2c(C)ccc2C)s1
InChIInChI=1S/C12H14N2OS/c1-7-4-5-8(2)14(7)12-10(11(13)15)6-9(3)16-12/h4-6H,1-3H3,(H2,13,15)
InChIKeyWIOVEBLKOBRTJY-UHFFFAOYSA-N
XLogP2.56
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide (CID 166058665) is 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(N)=O)c(-n2c(C)ccc2C)s1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is WIOVEBLKOBRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-4-5-8(2)14(7)12-10(11(13)15)6-9(3)16-12/h4-6H,1-3H3,(H2,13,15).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide?
2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 166058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).