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

C10H10N4O3S — CID 70572971

IUPAC5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(=O)n2nc(N3CCCC3)sc2n1
InChIInChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)11-9-14(7)12-10(18-9)13-3-1-2-4-13/h5H,1-4H2,(H,16,17)
InChIKeyYVJQHWJRZHUECJ-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.45
Rot. Bonds2

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

5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid (PubChem CID 70572971) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid
PubChem CID70572971
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(=O)n2nc(N3CCCC3)sc2n1
InChIInChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)11-9-14(7)12-10(18-9)13-3-1-2-4-13/h5H,1-4H2,(H,16,17)
InChIKeyYVJQHWJRZHUECJ-UHFFFAOYSA-N
XLogP0.45
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid (CID 70572971) is 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(=O)n2nc(N3CCCC3)sc2n1.
What is the InChIKey of 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is YVJQHWJRZHUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)11-9-14(7)12-10(18-9)13-3-1-2-4-13/h5H,1-4H2,(H,16,17).
What are the key properties of 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid?
5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 70572971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).