3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid

C12H10FN3O4S — CID 119258889

About 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258889) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
• PubChem CID: 119258889
• Molecular Formula: C12H10FN3O4S
• Molecular Weight: 311.29 g/mol
• Exact Mass: 311.04
• IUPAC Name: 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
• SMILES: O=C(c1cnc2sccn2c1=O)N1CCC(F)(C(=O)O)C1
• InChI: InChI=1S/C12H10FN3O4S/c13-12(10(19)20)1-2-15(6-12)8(17)7-5-14-11-16(9(7)18)3-4-21-11/h3-5H,1-2,6H2,(H,19,20)
• InChIKey: HJCUULBXNGNNDA-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 91.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.29
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid?

The IUPAC name of 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258889) is 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid?

The canonical SMILES for 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1cnc2sccn2c1=O)N1CCC(F)(C(=O)O)C1.

What is the InChIKey of 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid?

The InChIKey is HJCUULBXNGNNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-12(10(19)20)1-2-15(6-12)8(17)7-5-14-11-16(9(7)18)3-4-21-11/h3-5H,1-2,6H2,(H,19,20).

What are the key properties of 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid?

3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).