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

C12H14N4O3S — CID 21163774

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCC1CCC(C)N1c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C12H14N4O3S/c1-6-3-4-7(2)15(6)12-14-16-8(10(18)19)5-9(17)13-11(16)20-12/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeySXSONZFZTZQMIS-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.23
Rot. Bonds2

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

2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 21163774) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID21163774
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCC1CCC(C)N1c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C12H14N4O3S/c1-6-3-4-7(2)15(6)12-14-16-8(10(18)19)5-9(17)13-11(16)20-12/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeySXSONZFZTZQMIS-UHFFFAOYSA-N
XLogP1.23
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 21163774) is 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is CC1CCC(C)N1c1nn2c(C(=O)O)cc(=O)nc2s1.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is SXSONZFZTZQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-6-3-4-7(2)15(6)12-14-16-8(10(18)19)5-9(17)13-11(16)20-12/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 21163774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).