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

C12H18N2OS — CID 117148450

IUPAC3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cnc(C3CCCSC3)n2C1
InChIInChI=1S/C12H18N2OS/c15-11-4-3-10-6-13-12(14(10)7-11)9-2-1-5-16-8-9/h6,9,11,15H,1-5,7-8H2
InChIKeyVPQCCNYSGHBVCW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.80
Rot. Bonds1

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

3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117148450) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117148450
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cnc(C3CCCSC3)n2C1
InChIInChI=1S/C12H18N2OS/c15-11-4-3-10-6-13-12(14(10)7-11)9-2-1-5-16-8-9/h6,9,11,15H,1-5,7-8H2
InChIKeyVPQCCNYSGHBVCW-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117148450) is 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is OC1CCc2cnc(C3CCCSC3)n2C1.
What is the InChIKey of 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is VPQCCNYSGHBVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-11-4-3-10-6-13-12(14(10)7-11)9-2-1-5-16-8-9/h6,9,11,15H,1-5,7-8H2.
What are the key properties of 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 238.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117148450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).