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

C11H13N3O3S — CID 43467041

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

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid (PubChem CID 43467041) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid.

Molecular Properties

• Compound Name: 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
• PubChem CID: 43467041
• Molecular Formula: C11H13N3O3S
• Molecular Weight: 267.31 g/mol
• Exact Mass: 267.07
• IUPAC Name: 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
• SMILES: Cc1csc2nc(CNC(C)C(=O)O)cc(=O)n12
• InChI: InChI=1S/C11H13N3O3S/c1-6-5-18-11-13-8(3-9(15)14(6)11)4-12-7(2)10(16)17/h3,5,7,12H,4H2,1-2H3,(H,16,17)
• InChIKey: JUVSJHBPRSODFU-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.31
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid (CID 43467041) is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid.

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

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

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

The InChIKey is JUVSJHBPRSODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-5-18-11-13-8(3-9(15)14(6)11)4-12-7(2)10(16)17/h3,5,7,12H,4H2,1-2H3,(H,16,17).

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

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid has a molecular weight of 267.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid is sourced from PubChem (CID 43467041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).