3-thiophen-2-ylpyrazine-2-carboxylic acid

C9H6N2O2S — CID 82470252

IUPAC3-thiophen-2-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1cccs1
InChIInChI=1S/C9H6N2O2S/c12-9(13)8-7(10-3-4-11-8)6-2-1-5-14-6/h1-5H,(H,12,13)
InChIKeySUXYOVUXGXTOGZ-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.90
Rot. Bonds2

About 3-thiophen-2-ylpyrazine-2-carboxylic acid

3-thiophen-2-ylpyrazine-2-carboxylic acid (PubChem CID 82470252) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-thiophen-2-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-ylpyrazine-2-carboxylic acid
PubChem CID82470252
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name3-thiophen-2-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1cccs1
InChIInChI=1S/C9H6N2O2S/c12-9(13)8-7(10-3-4-11-8)6-2-1-5-14-6/h1-5H,(H,12,13)
InChIKeySUXYOVUXGXTOGZ-UHFFFAOYSA-N
XLogP1.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-2-ylpyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
2-methylsulfanyl-3-thiophen-2-ylpyrazine
CID 123525610
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
3-[(3-bromothiophene-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63802580
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 11367830
7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
CID 123447302
3-nitro-2-thiophen-2-ylpyridine
CID 71249233

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpyrazine-2-carboxylic acid?
The IUPAC name of 3-thiophen-2-ylpyrazine-2-carboxylic acid (CID 82470252) is 3-thiophen-2-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-thiophen-2-ylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-ylpyrazine-2-carboxylic acid?
The InChIKey is SUXYOVUXGXTOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-9(13)8-7(10-3-4-11-8)6-2-1-5-14-6/h1-5H,(H,12,13).
What are the key properties of 3-thiophen-2-ylpyrazine-2-carboxylic acid?
3-thiophen-2-ylpyrazine-2-carboxylic acid has a molecular weight of 206.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 82470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).