thiophene-2,5-dicarboxamide

C6H6N2O2S — CID 21316969

IUPACthiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C6H6N2O2S/c7-5(9)3-1-2-4(11-3)6(8)10/h1-2H,(H2,7,9)(H2,8,10)
InChIKeyOSCGNYRBEMVTNP-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.05
Rot. Bonds2

About thiophene-2,5-dicarboxamide

thiophene-2,5-dicarboxamide (PubChem CID 21316969) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Namethiophene-2,5-dicarboxamide
PubChem CID21316969
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Namethiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C6H6N2O2S/c7-5(9)3-1-2-4(11-3)6(8)10/h1-2H,(H2,7,9)(H2,8,10)
InChIKeyOSCGNYRBEMVTNP-UHFFFAOYSA-N
XLogP-0.05
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene-2,5-dicarboxamide?
The IUPAC name of thiophene-2,5-dicarboxamide (CID 21316969) is thiophene-2,5-dicarboxamide.
What is the SMILES notation for thiophene-2,5-dicarboxamide?
The canonical SMILES for thiophene-2,5-dicarboxamide is NC(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of thiophene-2,5-dicarboxamide?
The InChIKey is OSCGNYRBEMVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-5(9)3-1-2-4(11-3)6(8)10/h1-2H,(H2,7,9)(H2,8,10).
What are the key properties of thiophene-2,5-dicarboxamide?
thiophene-2,5-dicarboxamide has a molecular weight of 170.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,5-dicarboxamide is sourced from PubChem (CID 21316969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).