3,4-dimethylthiophene-2,5-dicarboxamide

C8H10N2O2S — CID 2804605

IUPAC3,4-dimethylthiophene-2,5-dicarboxamide
SMILESCc1c(C(N)=O)sc(C(N)=O)c1C
InChIInChI=1S/C8H10N2O2S/c1-3-4(2)6(8(10)12)13-5(3)7(9)11/h1-2H3,(H2,9,11)(H2,10,12)
InChIKeyNSRUXPPXONWEBI-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.56
Rot. Bonds2

About 3,4-dimethylthiophene-2,5-dicarboxamide

3,4-dimethylthiophene-2,5-dicarboxamide (PubChem CID 2804605) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3,4-dimethylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name3,4-dimethylthiophene-2,5-dicarboxamide
PubChem CID2804605
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3,4-dimethylthiophene-2,5-dicarboxamide
SMILESCc1c(C(N)=O)sc(C(N)=O)c1C
InChIInChI=1S/C8H10N2O2S/c1-3-4(2)6(8(10)12)13-5(3)7(9)11/h1-2H3,(H2,9,11)(H2,10,12)
InChIKeyNSRUXPPXONWEBI-UHFFFAOYSA-N
XLogP0.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthiophene-2,5-dicarboxamide?
The IUPAC name of 3,4-dimethylthiophene-2,5-dicarboxamide (CID 2804605) is 3,4-dimethylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 3,4-dimethylthiophene-2,5-dicarboxamide?
The canonical SMILES for 3,4-dimethylthiophene-2,5-dicarboxamide is Cc1c(C(N)=O)sc(C(N)=O)c1C.
What is the InChIKey of 3,4-dimethylthiophene-2,5-dicarboxamide?
The InChIKey is NSRUXPPXONWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-3-4(2)6(8(10)12)13-5(3)7(9)11/h1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 3,4-dimethylthiophene-2,5-dicarboxamide?
3,4-dimethylthiophene-2,5-dicarboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 2804605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).