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

C12H11N3O4S — CID 81165389

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165389) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
• PubChem CID: 81165389
• Molecular Formula: C12H11N3O4S
• Molecular Weight: 293.30 g/mol
• Exact Mass: 293.05
• IUPAC Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
• SMILES: O=C(NC1(C(=O)O)CCC1)c1cnc2sccn2c1=O
• InChI: InChI=1S/C12H11N3O4S/c16-8(14-12(10(18)19)2-1-3-12)7-6-13-11-15(9(7)17)4-5-20-11/h4-6H,1-3H2,(H,14,16)(H,18,19)
• InChIKey: VMXAQXMSBYYPDG-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.30
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81165389) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid.

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

The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cnc2sccn2c1=O.

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

The InChIKey is VMXAQXMSBYYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-8(14-12(10(18)19)2-1-3-12)7-6-13-11-15(9(7)17)4-5-20-11/h4-6H,1-3H2,(H,14,16)(H,18,19).

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).