5-cyano-3,4-diethylthiophene-2-carboxamide

C10H12N2OS — CID 2805513

IUPAC5-cyano-3,4-diethylthiophene-2-carboxamide
SMILESCCc1c(C#N)sc(C(N)=O)c1CC
InChIInChI=1S/C10H12N2OS/c1-3-6-7(4-2)9(10(12)13)14-8(6)5-11/h3-4H2,1-2H3,(H2,12,13)
InChIKeyHAJYBMUWKRERKA-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.84
Rot. Bonds3

About 5-cyano-3,4-diethylthiophene-2-carboxamide

5-cyano-3,4-diethylthiophene-2-carboxamide (PubChem CID 2805513) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-cyano-3,4-diethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-diethylthiophene-2-carboxamide
PubChem CID2805513
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-cyano-3,4-diethylthiophene-2-carboxamide
SMILESCCc1c(C#N)sc(C(N)=O)c1CC
InChIInChI=1S/C10H12N2OS/c1-3-6-7(4-2)9(10(12)13)14-8(6)5-11/h3-4H2,1-2H3,(H2,12,13)
InChIKeyHAJYBMUWKRERKA-UHFFFAOYSA-N
XLogP1.84
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-diethylthiophene-2-carboxamide?
The IUPAC name of 5-cyano-3,4-diethylthiophene-2-carboxamide (CID 2805513) is 5-cyano-3,4-diethylthiophene-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-diethylthiophene-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-diethylthiophene-2-carboxamide is CCc1c(C#N)sc(C(N)=O)c1CC.
What is the InChIKey of 5-cyano-3,4-diethylthiophene-2-carboxamide?
The InChIKey is HAJYBMUWKRERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-6-7(4-2)9(10(12)13)14-8(6)5-11/h3-4H2,1-2H3,(H2,12,13).
What are the key properties of 5-cyano-3,4-diethylthiophene-2-carboxamide?
5-cyano-3,4-diethylthiophene-2-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-diethylthiophene-2-carboxamide is sourced from PubChem (CID 2805513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).