methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate

C16H14N2O3S — CID 50905126

IUPACmethyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(OC)cc3)cnc2c1N
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-9(4-6-11)10-7-12-14(18-8-10)13(17)15(22-12)16(19)21-2/h3-8H,17H2,1-2H3
InChIKeyHFMYIKFOVUXODD-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.34
Rot. Bonds3

About methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50905126) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50905126
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namemethyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(OC)cc3)cnc2c1N
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-9(4-6-11)10-7-12-14(18-8-10)13(17)15(22-12)16(19)21-2/h3-8H,17H2,1-2H3
InChIKeyHFMYIKFOVUXODD-UHFFFAOYSA-N
XLogP3.34
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate 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 methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate (CID 50905126) is methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3ccc(OC)cc3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is HFMYIKFOVUXODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-11-5-3-9(4-6-11)10-7-12-14(18-8-10)13(17)15(22-12)16(19)21-2/h3-8H,17H2,1-2H3.
What are the key properties of methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50905126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).