5-formyl-N,N-dimethylthiophene-2-carboxamide

C8H9NO2S — CID 15007350

IUPAC5-formyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C=O)s1
InChIInChI=1S/C8H9NO2S/c1-9(2)8(11)7-4-3-6(5-10)12-7/h3-5H,1-2H3
InChIKeySXQDAXLBZDOEFL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.26
Rot. Bonds2

About 5-formyl-N,N-dimethylthiophene-2-carboxamide

5-formyl-N,N-dimethylthiophene-2-carboxamide (PubChem CID 15007350) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-formyl-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N,N-dimethylthiophene-2-carboxamide
PubChem CID15007350
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-formyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C=O)s1
InChIInChI=1S/C8H9NO2S/c1-9(2)8(11)7-4-3-6(5-10)12-7/h3-5H,1-2H3
InChIKeySXQDAXLBZDOEFL-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-formyl-N,N-dimethylthiophene-2-carboxamide (CID 15007350) is 5-formyl-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-formyl-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-formyl-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1ccc(C=O)s1.
What is the InChIKey of 5-formyl-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is SXQDAXLBZDOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-9(2)8(11)7-4-3-6(5-10)12-7/h3-5H,1-2H3.
What are the key properties of 5-formyl-N,N-dimethylthiophene-2-carboxamide?
5-formyl-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 15007350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).