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

C12H8N2O2S2 — CID 5152914

IUPAC3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C12H8N2O2S2/c13-9-6-3-4-7(8-2-1-5-17-8)14-11(6)18-10(9)12(15)16/h1-5H,13H2,(H,15,16)
InChIKeyYNNBEYCNFHGGEX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.31
Rot. Bonds2

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

3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 5152914) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID5152914
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C12H8N2O2S2/c13-9-6-3-4-7(8-2-1-5-17-8)14-11(6)18-10(9)12(15)16/h1-5H,13H2,(H,15,16)
InChIKeyYNNBEYCNFHGGEX-UHFFFAOYSA-N
XLogP3.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 5152914) is 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YNNBEYCNFHGGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c13-9-6-3-4-7(8-2-1-5-17-8)14-11(6)18-10(9)12(15)16/h1-5H,13H2,(H,15,16).
What are the key properties of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 5152914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).