3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C12H13N3O4S — CID 43170391

About 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43170391) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• PubChem CID: 43170391
• Molecular Formula: C12H13N3O4S
• Molecular Weight: 295.32 g/mol
• Exact Mass: 295.06
• IUPAC Name: 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• SMILES: CC(C)C(NC(=O)c1cnc2sccn2c1=O)C(=O)O
• InChI: InChI=1S/C12H13N3O4S/c1-6(2)8(11(18)19)14-9(16)7-5-13-12-15(10(7)17)3-4-20-12/h3-6,8H,1-2H3,(H,14,16)(H,18,19)
• InChIKey: AXRCUEMLXQGITH-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.32
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43170391) is 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

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

The canonical SMILES for 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)c1cnc2sccn2c1=O)C(=O)O.

What is the InChIKey of 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?

The InChIKey is AXRCUEMLXQGITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-6(2)8(11(18)19)14-9(16)7-5-13-12-15(10(7)17)3-4-20-12/h3-6,8H,1-2H3,(H,14,16)(H,18,19).

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

3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 295.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43170391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).