3-amino-4-methylthiophene-2-carboxylic acid

C6H7NO2S — CID 14989678

IUPAC3-amino-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1N
InChIInChI=1S/C6H7NO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H,8,9)
InChIKeyAKXYKVHNZQCHMF-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.34
Rot. Bonds1

About 3-amino-4-methylthiophene-2-carboxylic acid

3-amino-4-methylthiophene-2-carboxylic acid (PubChem CID 14989678) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-amino-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-methylthiophene-2-carboxylic acid
PubChem CID14989678
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-amino-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1N
InChIInChI=1S/C6H7NO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H,8,9)
InChIKeyAKXYKVHNZQCHMF-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-methylthiophene-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-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-methylthiophene-2-carboxylic acid (CID 14989678) is 3-amino-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1N.
What is the InChIKey of 3-amino-4-methylthiophene-2-carboxylic acid?
The InChIKey is AKXYKVHNZQCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-4-methylthiophene-2-carboxylic acid?
3-amino-4-methylthiophene-2-carboxylic acid has a molecular weight of 157.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 14989678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).