3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid

C8H5N5O3S — CID 63262288

IUPAC3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1cnns1
InChIInChI=1S/C8H5N5O3S/c14-7(4-3-11-13-17-4)12-6-5(8(15)16)9-1-2-10-6/h1-3H,(H,15,16)(H,10,12,14)
InChIKeyTUPLFIVSWYSPKF-UHFFFAOYSA-N
MW251.23 g/mol
LogP0.28
Rot. Bonds3

About 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid

3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid (PubChem CID 63262288) has the molecular formula C8H5N5O3S and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid
PubChem CID63262288
Molecular FormulaC8H5N5O3S
Molecular Weight251.23 g/mol
Exact Mass251.01
IUPAC Name3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1cnns1
InChIInChI=1S/C8H5N5O3S/c14-7(4-3-11-13-17-4)12-6-5(8(15)16)9-1-2-10-6/h1-3H,(H,15,16)(H,10,12,14)
InChIKeyTUPLFIVSWYSPKF-UHFFFAOYSA-N
XLogP0.28
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid (CID 63262288) is 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1cnns1.
What is the InChIKey of 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is TUPLFIVSWYSPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O3S/c14-7(4-3-11-13-17-4)12-6-5(8(15)16)9-1-2-10-6/h1-3H,(H,15,16)(H,10,12,14).
What are the key properties of 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid?
3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazole-5-carbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).