5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

C8H6N2O3S — CID 83884851

IUPAC5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(=O)nc2sc(C(=O)O)cn12
InChIInChI=1S/C8H6N2O3S/c1-4-2-6(11)9-8-10(4)3-5(14-8)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeyRXVYQDJQINUIIW-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.76
Rot. Bonds1

About 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83884851) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID83884851
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(=O)nc2sc(C(=O)O)cn12
InChIInChI=1S/C8H6N2O3S/c1-4-2-6(11)9-8-10(4)3-5(14-8)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeyRXVYQDJQINUIIW-UHFFFAOYSA-N
XLogP0.76
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 83884851) is 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is Cc1cc(=O)nc2sc(C(=O)O)cn12.
What is the InChIKey of 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is RXVYQDJQINUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-4-2-6(11)9-8-10(4)3-5(14-8)7(12)13/h2-3H,1H3,(H,12,13).
What are the key properties of 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).