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

C15H19N3O4S — CID 120533378

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

2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid (PubChem CID 120533378) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

• Compound Name: 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
• PubChem CID: 120533378
• Molecular Formula: C15H19N3O4S
• Molecular Weight: 337.40 g/mol
• Exact Mass: 337.11
• IUPAC Name: 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
• SMILES: CCC(CC)(CNC(=O)c1cnc2scc(C)n2c1=O)C(=O)O
• InChI: InChI=1S/C15H19N3O4S/c1-4-15(5-2,13(21)22)8-17-11(19)10-6-16-14-18(12(10)20)9(3)7-23-14/h6-7H,4-5,8H2,1-3H3,(H,17,19)(H,21,22)
• InChIKey: YEHZORQGWVIVFU-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.40
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid (CID 120533378) is 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

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

The canonical SMILES for 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1cnc2scc(C)n2c1=O)C(=O)O.

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

The InChIKey is YEHZORQGWVIVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-15(5-2,13(21)22)8-17-11(19)10-6-16-14-18(12(10)20)9(3)7-23-14/h6-7H,4-5,8H2,1-3H3,(H,17,19)(H,21,22).

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

2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid has a molecular weight of 337.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 120533378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).