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

C8H8N2O3S — CID 126649732

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

3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 126649732) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
• PubChem CID: 126649732
• Molecular Formula: C8H8N2O3S
• Molecular Weight: 212.23 g/mol
• Exact Mass: 212.03
• IUPAC Name: 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
• SMILES: CC1CSc2ncc(C(=O)O)c(=O)n21
• InChI: InChI=1S/C8H8N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2,4H,3H2,1H3,(H,12,13)
• InChIKey: SJAOJNFYJGLQPX-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.23
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?

The IUPAC name of 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 126649732) is 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?

The canonical SMILES for 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CC1CSc2ncc(C(=O)O)c(=O)n21.

What is the InChIKey of 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?

The InChIKey is SJAOJNFYJGLQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2,4H,3H2,1H3,(H,12,13).

What are the key properties of 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?

3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 126649732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).