3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol

C12H14N2OS — CID 117146445

IUPAC3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(C3CCCSC3)ncc12
InChIInChI=1S/C12H14N2OS/c15-11-4-1-5-14-10(11)7-13-12(14)9-3-2-6-16-8-9/h1,4-5,7,9,15H,2-3,6,8H2
InChIKeyMBBGRRNKHLTZGY-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.65
Rot. Bonds1

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

3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol (PubChem CID 117146445) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol
PubChem CID117146445
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(C3CCCSC3)ncc12
InChIInChI=1S/C12H14N2OS/c15-11-4-1-5-14-10(11)7-13-12(14)9-3-2-6-16-8-9/h1,4-5,7,9,15H,2-3,6,8H2
InChIKeyMBBGRRNKHLTZGY-UHFFFAOYSA-N
XLogP2.65
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105455282
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-ol
CID 117146296
7-methyl-3-(thian-3-yl)imidazo[1,5-a]pyridine
CID 117143992
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117146330
8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146448
3-(thian-3-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138507
(3-cyclohexylimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83840214
3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146502
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
3-(thian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148450
3-morpholin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105473853
8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146221

Frequently Asked Questions

What is the IUPAC name of 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol?
The IUPAC name of 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol (CID 117146445) is 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol?
The canonical SMILES for 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol is Oc1cccn2c(C3CCCSC3)ncc12.
What is the InChIKey of 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol?
The InChIKey is MBBGRRNKHLTZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11-4-1-5-14-10(11)7-13-12(14)9-3-2-6-16-8-9/h1,4-5,7,9,15H,2-3,6,8H2.
What are the key properties of 3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol?
3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol has a molecular weight of 234.32 g/mol, XLogP of 2.65, 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)imidazo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117146445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).