5-carbamoylthiophene-2-carboxylic acid

C6H5NO3S — CID 723562

IUPAC5-carbamoylthiophene-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H5NO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKeyQHUQNZMROQKPRS-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.55
Rot. Bonds2

About 5-carbamoylthiophene-2-carboxylic acid

5-carbamoylthiophene-2-carboxylic acid (PubChem CID 723562) has the molecular formula C6H5NO3S and a molecular weight of 171.18 g/mol. Its IUPAC name is 5-carbamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-carbamoylthiophene-2-carboxylic acid
PubChem CID723562
Molecular FormulaC6H5NO3S
Molecular Weight171.18 g/mol
Exact Mass171.00
IUPAC Name5-carbamoylthiophene-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H5NO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKeyQHUQNZMROQKPRS-UHFFFAOYSA-N
XLogP0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoylthiophene-2-carboxylic acid?
The IUPAC name of 5-carbamoylthiophene-2-carboxylic acid (CID 723562) is 5-carbamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-carbamoylthiophene-2-carboxylic acid?
The canonical SMILES for 5-carbamoylthiophene-2-carboxylic acid is NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-carbamoylthiophene-2-carboxylic acid?
The InChIKey is QHUQNZMROQKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10).
What are the key properties of 5-carbamoylthiophene-2-carboxylic acid?
5-carbamoylthiophene-2-carboxylic acid has a molecular weight of 171.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 723562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).