8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C12H16N2O3S — CID 117249625

About 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117249625) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 117249625
• Molecular Formula: C12H16N2O3S
• Molecular Weight: 268.34 g/mol
• Exact Mass: 268.09
• IUPAC Name: 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: O=C(O)c1nc(C2CCSC2)n2c1C(O)CCC2
• InChI: InChI=1S/C12H16N2O3S/c15-8-2-1-4-14-10(8)9(12(16)17)13-11(14)7-3-5-18-6-7/h7-8,15H,1-6H2,(H,16,17)
• InChIKey: LXEDTHUTIZJHGW-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 75.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.34
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117249625) is 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C2CCSC2)n2c1C(O)CCC2.

What is the InChIKey of 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is LXEDTHUTIZJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-8-2-1-4-14-10(8)9(12(16)17)13-11(14)7-3-5-18-6-7/h7-8,15H,1-6H2,(H,16,17).

What are the key properties of 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117249625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).