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

C9H8N2O3S — CID 13253379

IUPAC3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C9H8N2O3S/c1-2-5-4-15-9-10-3-6(8(13)14)7(12)11(5)9/h3-4H,2H2,1H3,(H,13,14)
InChIKeyYYGSETBMYQALOQ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.02
Rot. Bonds2

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

3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253379) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253379
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C9H8N2O3S/c1-2-5-4-15-9-10-3-6(8(13)14)7(12)11(5)9/h3-4H,2H2,1H3,(H,13,14)
InChIKeyYYGSETBMYQALOQ-UHFFFAOYSA-N
XLogP1.02
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253379) is 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CCc1csc2ncc(C(=O)O)c(=O)n12.
What is the InChIKey of 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is YYGSETBMYQALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-5-4-15-9-10-3-6(8(13)14)7(12)11(5)9/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).