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

C13H17N3O4S — CID 43469762

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

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 43469762) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

• Compound Name: 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
• PubChem CID: 43469762
• Molecular Formula: C13H17N3O4S
• Molecular Weight: 311.36 g/mol
• Exact Mass: 311.09
• IUPAC Name: 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
• SMILES: CCCCC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
• InChI: InChI=1S/C13H17N3O4S/c1-2-3-4-9(12(19)20)15-10(17)8-7-14-13-16(11(8)18)5-6-21-13/h7,9H,2-6H2,1H3,(H,15,17)(H,19,20)
• InChIKey: MMGMLACXZSHECD-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 101.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.36
LogP ≤ 5	0.72
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]hexanoic acid?

The IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (CID 43469762) is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.

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

The canonical SMILES for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid is CCCCC(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]hexanoic acid?

The InChIKey is MMGMLACXZSHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-3-4-9(12(19)20)15-10(17)8-7-14-13-16(11(8)18)5-6-21-13/h7,9H,2-6H2,1H3,(H,15,17)(H,19,20).

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

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid has a molecular weight of 311.36 g/mol, XLogP of 0.72, 6 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]hexanoic acid is sourced from PubChem (CID 43469762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).