3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

C9H8N2O2S — CID 670446

IUPAC3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)
InChIKeyZSZQAJUEIMYKCN-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.89
Rot. Bonds1

About 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 670446) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID670446
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)
InChIKeyZSZQAJUEIMYKCN-UHFFFAOYSA-N
XLogP1.89
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-methylthieno[2,3-b]pyridine-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-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (CID 670446) is 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1ccc2c(N)c(C(=O)O)sc2n1.
What is the InChIKey of 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZSZQAJUEIMYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).