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

C14H19N3O3S — CID 43619871

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

2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid (PubChem CID 43619871) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
• PubChem CID: 43619871
• Molecular Formula: C14H19N3O3S
• Molecular Weight: 309.39 g/mol
• Exact Mass: 309.11
• IUPAC Name: 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
• SMILES: CCCC(C)(NCc1cc(=O)n2c(C)csc2n1)C(=O)O
• InChI: InChI=1S/C14H19N3O3S/c1-4-5-14(3,12(19)20)15-7-10-6-11(18)17-9(2)8-21-13(17)16-10/h6,8,15H,4-5,7H2,1-3H3,(H,19,20)
• InChIKey: ARAUPOXMNRTIJD-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.39
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid (CID 43619871) is 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid.

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

The canonical SMILES for 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid is CCCC(C)(NCc1cc(=O)n2c(C)csc2n1)C(=O)O.

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

The InChIKey is ARAUPOXMNRTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-5-14(3,12(19)20)15-7-10-6-11(18)17-9(2)8-21-13(17)16-10/h6,8,15H,4-5,7H2,1-3H3,(H,19,20).

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

2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid has a molecular weight of 309.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43619871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).