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

C12H15N3O4S — CID 43630977

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

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 43630977) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

• Compound Name: 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• PubChem CID: 43630977
• Molecular Formula: C12H15N3O4S
• Molecular Weight: 297.34 g/mol
• Exact Mass: 297.08
• IUPAC Name: 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• SMILES: CCCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
• InChI: InChI=1S/C12H15N3O4S/c1-2-3-8(11(18)19)14-9(16)7-6-13-12-15(10(7)17)4-5-20-12/h6,8H,2-5H2,1H3,(H,14,16)(H,18,19)
• InChIKey: XSPJBSIBKHXRRX-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 101.29 Ų
• H-Bond Donors: 2
• 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	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 43630977) is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

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

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

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

The InChIKey is XSPJBSIBKHXRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-3-8(11(18)19)14-9(16)7-6-13-12-15(10(7)17)4-5-20-12/h6,8H,2-5H2,1H3,(H,14,16)(H,18,19).

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

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).