2-aminothieno[2,3-c]pyridine-3-carboxylic acid

C8H6N2O2S — CID 119083565

IUPAC2-aminothieno[2,3-c]pyridine-3-carboxylic acid
SMILESNc1sc2cnccc2c1C(=O)O
InChIInChI=1S/C8H6N2O2S/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7/h1-3H,9H2,(H,11,12)
InChIKeyKLIKPLZYPYZGIY-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.58
Rot. Bonds1

About 2-aminothieno[2,3-c]pyridine-3-carboxylic acid

2-aminothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 119083565) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-aminothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-aminothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID119083565
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-aminothieno[2,3-c]pyridine-3-carboxylic acid
SMILESNc1sc2cnccc2c1C(=O)O
InChIInChI=1S/C8H6N2O2S/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7/h1-3H,9H2,(H,11,12)
InChIKeyKLIKPLZYPYZGIY-UHFFFAOYSA-N
XLogP1.58
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-aminothieno[2,3-c]pyridine-3-carboxylic acid (CID 119083565) is 2-aminothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-aminothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-aminothieno[2,3-c]pyridine-3-carboxylic acid is Nc1sc2cnccc2c1C(=O)O.
What is the InChIKey of 2-aminothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is KLIKPLZYPYZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7/h1-3H,9H2,(H,11,12).
What are the key properties of 2-aminothieno[2,3-c]pyridine-3-carboxylic acid?
2-aminothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 119083565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).