3-amino-5-iodothiophene-2-carboxylic acid

C5H4INO2S — CID 45480423

IUPAC3-amino-5-iodothiophene-2-carboxylic acid
SMILESNc1cc(I)sc1C(=O)O
InChIInChI=1S/C5H4INO2S/c6-3-1-2(7)4(10-3)5(8)9/h1H,7H2,(H,8,9)
InChIKeyYMGNUFGQUFNPLU-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.63
Rot. Bonds1

About 3-amino-5-iodothiophene-2-carboxylic acid

3-amino-5-iodothiophene-2-carboxylic acid (PubChem CID 45480423) has the molecular formula C5H4INO2S and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-amino-5-iodothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-iodothiophene-2-carboxylic acid
PubChem CID45480423
Molecular FormulaC5H4INO2S
Molecular Weight269.06 g/mol
Exact Mass268.90
IUPAC Name3-amino-5-iodothiophene-2-carboxylic acid
SMILESNc1cc(I)sc1C(=O)O
InChIInChI=1S/C5H4INO2S/c6-3-1-2(7)4(10-3)5(8)9/h1H,7H2,(H,8,9)
InChIKeyYMGNUFGQUFNPLU-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-iodothiophene-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 3-amino-5-iodothiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-iodothiophene-2-carboxylic acid (CID 45480423) is 3-amino-5-iodothiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-iodothiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-iodothiophene-2-carboxylic acid is Nc1cc(I)sc1C(=O)O.
What is the InChIKey of 3-amino-5-iodothiophene-2-carboxylic acid?
The InChIKey is YMGNUFGQUFNPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO2S/c6-3-1-2(7)4(10-3)5(8)9/h1H,7H2,(H,8,9).
What are the key properties of 3-amino-5-iodothiophene-2-carboxylic acid?
3-amino-5-iodothiophene-2-carboxylic acid has a molecular weight of 269.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodothiophene-2-carboxylic acid is sourced from PubChem (CID 45480423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).