3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid

C12H7N3O3S2 — CID 80733671

IUPAC3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C12H7N3O3S2/c16-11(8-5-7-6(20-8)1-4-19-7)15-10-9(12(17)18)13-2-3-14-10/h1-5H,(H,17,18)(H,14,15,16)
InChIKeySTEVSKWMULLKLG-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.70
Rot. Bonds3

About 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid

3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid (PubChem CID 80733671) has the molecular formula C12H7N3O3S2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid
PubChem CID80733671
Molecular FormulaC12H7N3O3S2
Molecular Weight305.34 g/mol
Exact Mass304.99
IUPAC Name3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C12H7N3O3S2/c16-11(8-5-7-6(20-8)1-4-19-7)15-10-9(12(17)18)13-2-3-14-10/h1-5H,(H,17,18)(H,14,15,16)
InChIKeySTEVSKWMULLKLG-UHFFFAOYSA-N
XLogP2.70
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-bromothiophene-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63802580
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
5-iodo-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723029
3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 81498674
2-[2-(thieno[3,2-b]thiophene-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 80728804

Frequently Asked Questions

What is the IUPAC name of 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid (CID 80733671) is 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1cc2sccc2s1.
What is the InChIKey of 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is STEVSKWMULLKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3S2/c16-11(8-5-7-6(20-8)1-4-19-7)15-10-9(12(17)18)13-2-3-14-10/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid?
3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 80733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).