1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid

C13H15N3O3S — CID 43440791

About 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440791) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid
• PubChem CID: 43440791
• Molecular Formula: C13H15N3O3S
• Molecular Weight: 293.35 g/mol
• Exact Mass: 293.08
• IUPAC Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid
• SMILES: O=C(O)C1CCCN(Cc2cc(=O)n3ccsc3n2)C1
• InChI: InChI=1S/C13H15N3O3S/c17-11-6-10(14-13-16(11)4-5-20-13)8-15-3-1-2-9(7-15)12(18)19/h4-6,9H,1-3,7-8H2,(H,18,19)
• InChIKey: VUIIWYUUHKPZDB-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.35
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid?

The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid (CID 43440791) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid.

What is the SMILES notation for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid?

The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cc(=O)n3ccsc3n2)C1.

What is the InChIKey of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid?

The InChIKey is VUIIWYUUHKPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11-6-10(14-13-16(11)4-5-20-13)8-15-3-1-2-9(7-15)12(18)19/h4-6,9H,1-3,7-8H2,(H,18,19).

What are the key properties of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid?

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 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]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).