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

C12H15N3O3S — CID 55007644

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

2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (PubChem CID 55007644) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
• PubChem CID: 55007644
• Molecular Formula: C12H15N3O3S
• Molecular Weight: 281.34 g/mol
• Exact Mass: 281.08
• IUPAC Name: 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
• SMILES: CC(CN(C)Cc1cc(=O)n2ccsc2n1)C(=O)O
• InChI: InChI=1S/C12H15N3O3S/c1-8(11(17)18)6-14(2)7-9-5-10(16)15-3-4-19-12(15)13-9/h3-5,8H,6-7H2,1-2H3,(H,17,18)
• InChIKey: SMNHMTGBCZRXTJ-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.34
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (CID 55007644) is 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.

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

The canonical SMILES for 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is CC(CN(C)Cc1cc(=O)n2ccsc2n1)C(=O)O.

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

The InChIKey is SMNHMTGBCZRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(11(17)18)6-14(2)7-9-5-10(16)15-3-4-19-12(15)13-9/h3-5,8H,6-7H2,1-2H3,(H,17,18).

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

2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid has a molecular weight of 281.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 55007644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).