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

C10H12N4O3S — CID 53212655

IUPAC2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C10H12N4O3S/c1-3-13(4-2)10-12-14-6(8(16)17)5-7(15)11-9(14)18-10/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyZDCBFYJDJBCJRL-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.70
Rot. Bonds4

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

2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 53212655) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID53212655
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C10H12N4O3S/c1-3-13(4-2)10-12-14-6(8(16)17)5-7(15)11-9(14)18-10/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyZDCBFYJDJBCJRL-UHFFFAOYSA-N
XLogP0.70
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 53212655) is 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is CCN(CC)c1nn2c(C(=O)O)cc(=O)nc2s1.
What is the InChIKey of 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZDCBFYJDJBCJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-3-13(4-2)10-12-14-6(8(16)17)5-7(15)11-9(14)18-10/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 268.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53212655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).