4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C12H15N3O4S — CID 43360099

About 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43360099) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• PubChem CID: 43360099
• Molecular Formula: C12H15N3O4S
• Molecular Weight: 297.34 g/mol
• Exact Mass: 297.08
• IUPAC Name: 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
• SMILES: CN(CCCC(=O)O)C(=O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C12H15N3O4S/c1-14(4-2-3-9(16)17)10(18)8-7-13-12-15(11(8)19)5-6-20-12/h7H,2-6H2,1H3,(H,16,17)
• InChIKey: KCAVPUSYKJMBDY-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 92.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.34
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?

The IUPAC name of 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43360099) is 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

What is the SMILES notation for 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?

The canonical SMILES for 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnc2n(c1=O)CCS2.

What is the InChIKey of 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?

The InChIKey is KCAVPUSYKJMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-14(4-2-3-9(16)17)10(18)8-7-13-12-15(11(8)19)5-6-20-12/h7H,2-6H2,1H3,(H,16,17).

What are the key properties of 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?

4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43360099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).