2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid

C10H12N2O4S — CID 175494308

IUPAC2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
SMILESCC1CN(C(=O)O)Cc2sc(N)c(C(=O)O)c21
InChIInChI=1S/C10H12N2O4S/c1-4-2-12(10(15)16)3-5-6(4)7(9(13)14)8(11)17-5/h4H,2-3,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZCYFHWWCNPPEM-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.63
Rot. Bonds1

About 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid

2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid (PubChem CID 175494308) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
PubChem CID175494308
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
SMILESCC1CN(C(=O)O)Cc2sc(N)c(C(=O)O)c21
InChIInChI=1S/C10H12N2O4S/c1-4-2-12(10(15)16)3-5-6(4)7(9(13)14)8(11)17-5/h4H,2-3,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZCYFHWWCNPPEM-UHFFFAOYSA-N
XLogP1.63
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic 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-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The IUPAC name of 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid (CID 175494308) is 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The canonical SMILES for 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid is CC1CN(C(=O)O)Cc2sc(N)c(C(=O)O)c21.
What is the InChIKey of 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The InChIKey is UZCYFHWWCNPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-4-2-12(10(15)16)3-5-6(4)7(9(13)14)8(11)17-5/h4H,2-3,11H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid is sourced from PubChem (CID 175494308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).