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

C13H17N3O4S — CID 43170037

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

6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 43170037) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
• PubChem CID: 43170037
• Molecular Formula: C13H17N3O4S
• Molecular Weight: 311.36 g/mol
• Exact Mass: 311.09
• IUPAC Name: 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
• SMILES: O=C(O)CCCCCNC(=O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C13H17N3O4S/c17-10(18)4-2-1-3-5-14-11(19)9-8-15-13-16(12(9)20)6-7-21-13/h8H,1-7H2,(H,14,19)(H,17,18)
• InChIKey: GBVJRRBUYYECPB-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 101.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• 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

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (CID 43170037) is 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.

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

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

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

The InChIKey is GBVJRRBUYYECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c17-10(18)4-2-1-3-5-14-11(19)9-8-15-13-16(12(9)20)6-7-21-13/h8H,1-7H2,(H,14,19)(H,17,18).

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

6-[(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, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43170037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).