7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

C6H3N3O3S — CID 21163768

IUPAC7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2scnn12
InChIInChI=1S/C6H3N3O3S/c10-4-1-3(5(11)12)9-6(8-4)13-2-7-9/h1-2H,(H,11,12)
InChIKeyHTQJXQIMXXOYQT-UHFFFAOYSA-N
MW197.18 g/mol
LogP-0.15
Rot. Bonds1

About 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 21163768) has the molecular formula C6H3N3O3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID21163768
Molecular FormulaC6H3N3O3S
Molecular Weight197.18 g/mol
Exact Mass196.99
IUPAC Name7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2scnn12
InChIInChI=1S/C6H3N3O3S/c10-4-1-3(5(11)12)9-6(8-4)13-2-7-9/h1-2H,(H,11,12)
InChIKeyHTQJXQIMXXOYQT-UHFFFAOYSA-N
XLogP-0.15
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 21163768) is 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(=O)nc2scnn12.
What is the InChIKey of 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is HTQJXQIMXXOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3S/c10-4-1-3(5(11)12)9-6(8-4)13-2-7-9/h1-2H,(H,11,12).
What are the key properties of 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 197.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 21163768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).