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

C10H10N2O3S — CID 13253373

IUPAC5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C10H10N2O3S/c1-5(2)7-4-16-10-11-3-6(9(14)15)8(13)12(7)10/h3-5H,1-2H3,(H,14,15)
InChIKeyQFLDFFLVLGCWLN-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.58
Rot. Bonds2

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

5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253373) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253373
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C10H10N2O3S/c1-5(2)7-4-16-10-11-3-6(9(14)15)8(13)12(7)10/h3-5H,1-2H3,(H,14,15)
InChIKeyQFLDFFLVLGCWLN-UHFFFAOYSA-N
XLogP1.58
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253373) is 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CC(C)c1csc2ncc(C(=O)O)c(=O)n12.
What is the InChIKey of 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is QFLDFFLVLGCWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-5(2)7-4-16-10-11-3-6(9(14)15)8(13)12(7)10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).