3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid

C13H17N3O3S — CID 43468484

About 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid

3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid (PubChem CID 43468484) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid.

Molecular Properties

• Compound Name: 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
• PubChem CID: 43468484
• Molecular Formula: C13H17N3O3S
• Molecular Weight: 295.36 g/mol
• Exact Mass: 295.10
• IUPAC Name: 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
• SMILES: Cc1csc2nc(CNC(C(=O)O)C(C)C)cc(=O)n12
• InChI: InChI=1S/C13H17N3O3S/c1-7(2)11(12(18)19)14-5-9-4-10(17)16-8(3)6-20-13(16)15-9/h4,6-7,11,14H,5H2,1-3H3,(H,18,19)
• InChIKey: MEUCSYSLNZJUQD-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.36
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid?

The IUPAC name of 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid (CID 43468484) is 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid.

What is the SMILES notation for 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid?

The canonical SMILES for 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid is Cc1csc2nc(CNC(C(=O)O)C(C)C)cc(=O)n12.

What is the InChIKey of 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid?

The InChIKey is MEUCSYSLNZJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(2)11(12(18)19)14-5-9-4-10(17)16-8(3)6-20-13(16)15-9/h4,6-7,11,14H,5H2,1-3H3,(H,18,19).

What are the key properties of 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid?

3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid has a molecular weight of 295.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid is sourced from PubChem (CID 43468484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).