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

C12H18N2OS — CID 117149866

IUPAC3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(CC3CCSC3)n21
InChIInChI=1S/C12H18N2OS/c15-12-3-1-2-10-7-13-11(14(10)12)6-9-4-5-16-8-9/h7,9,12,15H,1-6,8H2
InChIKeyVZUAIOSOYIJUMC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.01
Rot. Bonds2

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

3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (PubChem CID 117149866) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
PubChem CID117149866
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(CC3CCSC3)n21
InChIInChI=1S/C12H18N2OS/c15-12-3-1-2-10-7-13-11(14(10)12)6-9-4-5-16-8-9/h7,9,12,15H,1-6,8H2
InChIKeyVZUAIOSOYIJUMC-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (CID 117149866) is 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is OC1CCCc2cnc(CC3CCSC3)n21.
What is the InChIKey of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The InChIKey is VZUAIOSOYIJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-12-3-1-2-10-7-13-11(14(10)12)6-9-4-5-16-8-9/h7,9,12,15H,1-6,8H2.
What are the key properties of 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol has a molecular weight of 238.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117149866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).