1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione

C13H18N4S — CID 83017949

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC1CCCC(C)N1n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H18N4S/c1-9-4-3-5-10(2)16(9)17-12-6-7-14-8-11(12)15-13(17)18/h6-10H,3-5H2,1-2H3,(H,15,18)
InChIKeyUKTSPYQLNBOQCK-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 83017949) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID83017949
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC1CCCC(C)N1n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H18N4S/c1-9-4-3-5-10(2)16(9)17-12-6-7-14-8-11(12)15-13(17)18/h6-10H,3-5H2,1-2H3,(H,15,18)
InChIKeyUKTSPYQLNBOQCK-UHFFFAOYSA-N
XLogP2.99
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 83017949) is 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione is CC1CCCC(C)N1n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is UKTSPYQLNBOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-4-3-5-10(2)16(9)17-12-6-7-14-8-11(12)15-13(17)18/h6-10H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 262.38 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 83017949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).