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

C8H6N2O3S — CID 14319828

IUPAC7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2sccn2c(=O)c1C(=O)O
InChIInChI=1S/C8H6N2O3S/c1-4-5(7(12)13)6(11)10-2-3-14-8(10)9-4/h2-3H,1H3,(H,12,13)
InChIKeyQNCWUYLWOGLQII-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.76
Rot. Bonds1

About 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 14319828) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID14319828
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2sccn2c(=O)c1C(=O)O
InChIInChI=1S/C8H6N2O3S/c1-4-5(7(12)13)6(11)10-2-3-14-8(10)9-4/h2-3H,1H3,(H,12,13)
InChIKeyQNCWUYLWOGLQII-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 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 14319828) is 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is Cc1nc2sccn2c(=O)c1C(=O)O.
What is the InChIKey of 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is QNCWUYLWOGLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-4-5(7(12)13)6(11)10-2-3-14-8(10)9-4/h2-3H,1H3,(H,12,13).
What are the key properties of 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-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 7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 14319828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).