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

C11H12N2O3S — CID 13253374

IUPAC3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCC(C)c1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C11H12N2O3S/c1-3-6(2)8-5-17-11-12-4-7(10(15)16)9(14)13(8)11/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyGZYJXBNIUVUZLG-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.97
Rot. Bonds3

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

3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253374) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253374
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCC(C)c1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C11H12N2O3S/c1-3-6(2)8-5-17-11-12-4-7(10(15)16)9(14)13(8)11/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyGZYJXBNIUVUZLG-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253374) is 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CCC(C)c1csc2ncc(C(=O)O)c(=O)n12.
What is the InChIKey of 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is GZYJXBNIUVUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-6(2)8-5-17-11-12-4-7(10(15)16)9(14)13(8)11/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).