2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid

C11H9N3O3S — CID 69486387

IUPAC2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyWQMBDXRUIWWHRC-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid

2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid (PubChem CID 69486387) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
PubChem CID69486387
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyWQMBDXRUIWWHRC-UHFFFAOYSA-N
XLogP2.00
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid (CID 69486387) is 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid is NC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The InChIKey is WQMBDXRUIWWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17).
What are the key properties of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 69486387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).