3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid

C10H9N5O3S — CID 65204890

IUPAC3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H9N5O3S/c1-2-5-7(19-15-14-5)9(16)13-8-6(10(17)18)11-3-4-12-8/h3-4H,2H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyWTERXAIRQLWPRN-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.84
Rot. Bonds4

About 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 65204890) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID65204890
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C10H9N5O3S/c1-2-5-7(19-15-14-5)9(16)13-8-6(10(17)18)11-3-4-12-8/h3-4H,2H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyWTERXAIRQLWPRN-UHFFFAOYSA-N
XLogP0.84
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (CID 65204890) is 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is CCc1nnsc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is WTERXAIRQLWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c1-2-5-7(19-15-14-5)9(16)13-8-6(10(17)18)11-3-4-12-8/h3-4H,2H2,1H3,(H,17,18)(H,12,13,16).
What are the key properties of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65204890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).