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

C10H10N2O3S — CID 13253377

IUPAC2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1sc2ncc(C(=O)O)c(=O)n2c1C
InChIInChI=1S/C10H10N2O3S/c1-3-7-5(2)12-8(13)6(9(14)15)4-11-10(12)16-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeyNTSQXQDCKVYOHM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.33
Rot. Bonds2

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

2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253377) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253377
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1sc2ncc(C(=O)O)c(=O)n2c1C
InChIInChI=1S/C10H10N2O3S/c1-3-7-5(2)12-8(13)6(9(14)15)4-11-10(12)16-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeyNTSQXQDCKVYOHM-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253377) is 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CCc1sc2ncc(C(=O)O)c(=O)n2c1C.
What is the InChIKey of 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is NTSQXQDCKVYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-7-5(2)12-8(13)6(9(14)15)4-11-10(12)16-7/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).