2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

C11H12N2O3S — CID 13253378

IUPAC2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1sc2ncc(C(=O)O)c(=O)n2c1CC
InChIInChI=1S/C11H12N2O3S/c1-3-7-8(4-2)17-11-12-5-6(10(15)16)9(14)13(7)11/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyWAGQMWKKAFJQGO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.58
Rot. Bonds3

About 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253378) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253378
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1sc2ncc(C(=O)O)c(=O)n2c1CC
InChIInChI=1S/C11H12N2O3S/c1-3-7-8(4-2)17-11-12-5-6(10(15)16)9(14)13(7)11/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyWAGQMWKKAFJQGO-UHFFFAOYSA-N
XLogP1.58
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253378) is 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CCc1sc2ncc(C(=O)O)c(=O)n2c1CC.
What is the InChIKey of 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is WAGQMWKKAFJQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-7-8(4-2)17-11-12-5-6(10(15)16)9(14)13(7)11/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).