6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C14H22N2S — CID 117154248

IUPAC6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1CCc2nc(CC3CCCSC3)cn2C1
InChIInChI=1S/C14H22N2S/c1-11-4-5-14-15-13(9-16(14)8-11)7-12-3-2-6-17-10-12/h9,11-12H,2-8,10H2,1H3
InChIKeyQSWCPTRYPXKUBY-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.15
Rot. Bonds2

About 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 117154248) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID117154248
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1CCc2nc(CC3CCCSC3)cn2C1
InChIInChI=1S/C14H22N2S/c1-11-4-5-14-15-13(9-16(14)8-11)7-12-3-2-6-17-10-12/h9,11-12H,2-8,10H2,1H3
InChIKeyQSWCPTRYPXKUBY-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154258
3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117154240
2-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117153891
7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117156496
6-methyl-2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154177
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153923
6-methyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154163
2-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117154448
2-[(2-fluorophenyl)methyl]-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154425
4-[2-(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]morpholine
CID 117154616
[2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153570
6-methyl-3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148350

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 117154248) is 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC1CCc2nc(CC3CCCSC3)cn2C1.
What is the InChIKey of 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is QSWCPTRYPXKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-4-5-14-15-13(9-16(14)8-11)7-12-3-2-6-17-10-12/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 250.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 117154248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).