5-amino-1-benzothiophene-2-carboxylic acid

C9H7NO2S — CID 2764555

IUPAC5-amino-1-benzothiophene-2-carboxylic acid
SMILESNc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C9H7NO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
InChIKeyBGGKOIDGMQOPPH-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.18
Rot. Bonds1

About 5-amino-1-benzothiophene-2-carboxylic acid

5-amino-1-benzothiophene-2-carboxylic acid (PubChem CID 2764555) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 5-amino-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-benzothiophene-2-carboxylic acid
PubChem CID2764555
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name5-amino-1-benzothiophene-2-carboxylic acid
SMILESNc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C9H7NO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
InChIKeyBGGKOIDGMQOPPH-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1-benzothiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-amino-1-benzothiophene-2-carboxylic acid (CID 2764555) is 5-amino-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-amino-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-amino-1-benzothiophene-2-carboxylic acid is Nc1ccc2sc(C(=O)O)cc2c1.
What is the InChIKey of 5-amino-1-benzothiophene-2-carboxylic acid?
The InChIKey is BGGKOIDGMQOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12).
What are the key properties of 5-amino-1-benzothiophene-2-carboxylic acid?
5-amino-1-benzothiophene-2-carboxylic acid has a molecular weight of 193.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 2764555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).