3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid

C20H14N2O2S — CID 683021

IUPAC3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O2S/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24/h1-11H,21H2,(H,23,24)
InChIKeyISVCAHMLQMOYKV-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.91
Rot. Bonds3

About 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 683021) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID683021
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O2S/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24/h1-11H,21H2,(H,23,24)
InChIKeyISVCAHMLQMOYKV-UHFFFAOYSA-N
XLogP4.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 683021) is 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ISVCAHMLQMOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c21-17-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)22-19(16)25-18(17)20(23)24/h1-11H,21H2,(H,23,24).
What are the key properties of 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 683021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).