1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione

C15H20N2S — CID 155936346

IUPAC1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione
SMILESCc1cccc(C)c1N1C(=S)CN2CCCCC21
InChIInChI=1S/C15H20N2S/c1-11-6-5-7-12(2)15(11)17-13-8-3-4-9-16(13)10-14(17)18/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeyPXUFBRQGHLBBPL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.26
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione

1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione (PubChem CID 155936346) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione
PubChem CID155936346
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione
SMILESCc1cccc(C)c1N1C(=S)CN2CCCCC21
InChIInChI=1S/C15H20N2S/c1-11-6-5-7-12(2)15(11)17-13-8-3-4-9-16(13)10-14(17)18/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeyPXUFBRQGHLBBPL-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione?
The IUPAC name of 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione (CID 155936346) is 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione is Cc1cccc(C)c1N1C(=S)CN2CCCCC21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione?
The InChIKey is PXUFBRQGHLBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-6-5-7-12(2)15(11)17-13-8-3-4-9-16(13)10-14(17)18/h5-7,13H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione?
1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione has a molecular weight of 260.41 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-thione is sourced from PubChem (CID 155936346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).