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

C14H20N4S — CID 79296184

IUPAC1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(CN1CCCCC1)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H20N4S/c1-11(10-17-7-3-2-4-8-17)18-13-5-6-15-9-12(13)16-14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKeyHOJLOSNHPQYXDO-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.14
Rot. Bonds3

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

1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296184) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296184
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(CN1CCCCC1)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H20N4S/c1-11(10-17-7-3-2-4-8-17)18-13-5-6-15-9-12(13)16-14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKeyHOJLOSNHPQYXDO-UHFFFAOYSA-N
XLogP3.14
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.14
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-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296184) is 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione is CC(CN1CCCCC1)n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is HOJLOSNHPQYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11(10-17-7-3-2-4-8-17)18-13-5-6-15-9-12(13)16-14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,19).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 276.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).