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

C13H20N2S — CID 117156496

IUPAC7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1CCn2cc(CC3CCSC3)nc2C1
InChIInChI=1S/C13H20N2S/c1-10-2-4-15-8-12(14-13(15)6-10)7-11-3-5-16-9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyMGXHVVDYABRVOX-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.76
Rot. Bonds2

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

7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 117156496) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID117156496
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1CCn2cc(CC3CCSC3)nc2C1
InChIInChI=1S/C13H20N2S/c1-10-2-4-15-8-12(14-13(15)6-10)7-11-3-5-16-9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyMGXHVVDYABRVOX-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 117156496) is 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC1CCn2cc(CC3CCSC3)nc2C1.
What is the InChIKey of 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is MGXHVVDYABRVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-2-4-15-8-12(14-13(15)6-10)7-11-3-5-16-9-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 236.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 117156496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).