8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H20N2S — CID 117152463

IUPAC8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCn2c1cnc2C1CCSCC1
InChIInChI=1S/C13H20N2S/c1-10-3-2-6-15-12(10)9-14-13(15)11-4-7-16-8-5-11/h9-11H,2-8H2,1H3
InChIKeyGBHBWTKJUIEUQJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.39
Rot. Bonds1

About 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117152463) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117152463
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCn2c1cnc2C1CCSCC1
InChIInChI=1S/C13H20N2S/c1-10-3-2-6-15-12(10)9-14-13(15)11-4-7-16-8-5-11/h9-11H,2-8H2,1H3
InChIKeyGBHBWTKJUIEUQJ-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 105474983
3-(1-ethylpiperidin-4-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152479
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249714
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83865216
(8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanamine
CID 83826829
3-(2,2-dimethylpropyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117153011
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105459210
(3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83833042
3-(1-ethylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117152481
3-(5-bromofuran-2-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152823
3-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117153140
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105476515

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117152463) is 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCn2c1cnc2C1CCSCC1.
What is the InChIKey of 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is GBHBWTKJUIEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-3-2-6-15-12(10)9-14-13(15)11-4-7-16-8-5-11/h9-11H,2-8H2,1H3.
What are the key properties of 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 236.38 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117152463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).