2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid

C13H13N3O4S — CID 120517663

About 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid

2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 120517663) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
• PubChem CID: 120517663
• Molecular Formula: C13H13N3O4S
• Molecular Weight: 307.33 g/mol
• Exact Mass: 307.06
• IUPAC Name: 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
• SMILES: Cc1csc2ncc(C(=O)N(CC(=O)O)C3CC3)c(=O)n12
• InChI: InChI=1S/C13H13N3O4S/c1-7-6-21-13-14-4-9(12(20)16(7)13)11(19)15(5-10(17)18)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,17,18)
• InChIKey: KXPDLWBIXUQWDY-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 91.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.33
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?

The IUPAC name of 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 120517663) is 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.

What is the SMILES notation for 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?

The canonical SMILES for 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is Cc1csc2ncc(C(=O)N(CC(=O)O)C3CC3)c(=O)n12.

What is the InChIKey of 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?

The InChIKey is KXPDLWBIXUQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-7-6-21-13-14-4-9(12(20)16(7)13)11(19)15(5-10(17)18)8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,17,18).

What are the key properties of 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?

2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 307.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 120517663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).