2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

C9H10N4O3S — CID 43442681

About 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid

2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 43442681) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• PubChem CID: 43442681
• Molecular Formula: C9H10N4O3S
• Molecular Weight: 254.27 g/mol
• Exact Mass: 254.05
• IUPAC Name: 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• SMILES: CN(CC(=O)O)Cc1cc(=O)n2ncsc2n1
• InChI: InChI=1S/C9H10N4O3S/c1-12(4-8(15)16)3-6-2-7(14)13-9(11-6)17-5-10-13/h2,5H,3-4H2,1H3,(H,15,16)
• InChIKey: SBZCBWYRBUVHGB-UHFFFAOYSA-N
• XLogP: -0.33
• TPSA: 87.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.27
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The IUPAC name of 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 43442681) is 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The canonical SMILES for 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is CN(CC(=O)O)Cc1cc(=O)n2ncsc2n1.

What is the InChIKey of 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The InChIKey is SBZCBWYRBUVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-12(4-8(15)16)3-6-2-7(14)13-9(11-6)17-5-10-13/h2,5H,3-4H2,1H3,(H,15,16).

What are the key properties of 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 254.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43442681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).