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

C9H7N5O3S — CID 55168994

IUPAC3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H7N5O3S/c1-4-6(18-14-13-4)8(15)12-7-5(9(16)17)10-2-3-11-7/h2-3H,1H3,(H,16,17)(H,11,12,15)
InChIKeySJQOQUGABFJSNR-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.59
Rot. Bonds3

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

3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 55168994) has the molecular formula C9H7N5O3S and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID55168994
Molecular FormulaC9H7N5O3S
Molecular Weight265.25 g/mol
Exact Mass265.03
IUPAC Name3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H7N5O3S/c1-4-6(18-14-13-4)8(15)12-7-5(9(16)17)10-2-3-11-7/h2-3H,1H3,(H,16,17)(H,11,12,15)
InChIKeySJQOQUGABFJSNR-UHFFFAOYSA-N
XLogP0.59
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (CID 55168994) is 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is Cc1nnsc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is SJQOQUGABFJSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3S/c1-4-6(18-14-13-4)8(15)12-7-5(9(16)17)10-2-3-11-7/h2-3H,1H3,(H,16,17)(H,11,12,15).
What are the key properties of 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55168994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).