4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid

C15H12N2O2S — CID 53320599

IUPAC4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCc1ccccc1Nc1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C15H12N2O2S/c1-9-4-2-3-5-11(9)16-14-10-6-7-20-13(10)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyJPCCICVSFHLQEU-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.05
Rot. Bonds3

About 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53320599) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53320599
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCc1ccccc1Nc1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C15H12N2O2S/c1-9-4-2-3-5-11(9)16-14-10-6-7-20-13(10)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyJPCCICVSFHLQEU-UHFFFAOYSA-N
XLogP4.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylanilino)thieno[3,2-c]pyridine-6-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 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53320599) is 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid is Cc1ccccc1Nc1nc(C(=O)O)cc2sccc12.
What is the InChIKey of 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is JPCCICVSFHLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-4-2-3-5-11(9)16-14-10-6-7-20-13(10)8-12(17-14)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53320599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).