2-amino-5-thiophen-2-ylbenzoic acid

C11H9NO2S — CID 16768750

IUPAC2-amino-5-thiophen-2-ylbenzoic acid
SMILESNc1ccc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C11H9NO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)
InChIKeyPXSSPVWKCSZVKQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-5-thiophen-2-ylbenzoic acid

2-amino-5-thiophen-2-ylbenzoic acid (PubChem CID 16768750) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-5-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-thiophen-2-ylbenzoic acid
PubChem CID16768750
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-amino-5-thiophen-2-ylbenzoic acid
SMILESNc1ccc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C11H9NO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)
InChIKeyPXSSPVWKCSZVKQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-thiophen-2-ylbenzoic 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 2-amino-5-thiophen-2-ylbenzoic acid?
The IUPAC name of 2-amino-5-thiophen-2-ylbenzoic acid (CID 16768750) is 2-amino-5-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 2-amino-5-thiophen-2-ylbenzoic acid?
The canonical SMILES for 2-amino-5-thiophen-2-ylbenzoic acid is Nc1ccc(-c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-thiophen-2-ylbenzoic acid?
The InChIKey is PXSSPVWKCSZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,12H2,(H,13,14).
What are the key properties of 2-amino-5-thiophen-2-ylbenzoic acid?
2-amino-5-thiophen-2-ylbenzoic acid has a molecular weight of 219.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 16768750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).