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

C10H10N4O3S — CID 12899672

IUPAC7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCCC3)nn12
InChIInChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)14-9(11-7)18-10(12-14)13-3-1-2-4-13/h5H,1-4H2,(H,16,17)
InChIKeyWPIXKQQHIIEWLS-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.45
Rot. Bonds2

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

7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 12899672) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID12899672
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCCC3)nn12
InChIInChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)14-9(11-7)18-10(12-14)13-3-1-2-4-13/h5H,1-4H2,(H,16,17)
InChIKeyWPIXKQQHIIEWLS-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 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 12899672) is 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(=O)nc2sc(N3CCCC3)nn12.
What is the InChIKey of 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is WPIXKQQHIIEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-7-5-6(8(16)17)14-9(11-7)18-10(12-14)13-3-1-2-4-13/h5H,1-4H2,(H,16,17).
What are the key properties of 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-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 7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 12899672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).