3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

C11H16N2OS — CID 117148496

IUPAC3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cnc(C3CCCS3)n2C1
InChIInChI=1S/C11H16N2OS/c14-9-4-3-8-6-12-11(13(8)7-9)10-2-1-5-15-10/h6,9-10,14H,1-5,7H2
InChIKeyAVLFTBYVSGFMPM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.76
Rot. Bonds1

About 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117148496) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117148496
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cnc(C3CCCS3)n2C1
InChIInChI=1S/C11H16N2OS/c14-9-4-3-8-6-12-11(13(8)7-9)10-2-1-5-15-10/h6,9-10,14H,1-5,7H2
InChIKeyAVLFTBYVSGFMPM-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117148496) is 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is OC1CCc2cnc(C3CCCS3)n2C1.
What is the InChIKey of 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is AVLFTBYVSGFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-9-4-3-8-6-12-11(13(8)7-9)10-2-1-5-15-10/h6,9-10,14H,1-5,7H2.
What are the key properties of 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 224.33 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).