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

C14H20N4S — CID 114516207

IUPAC1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCN1CCC(CCn2c(=S)[nH]c3cnccc32)CC1
InChIInChI=1S/C14H20N4S/c1-17-7-3-11(4-8-17)5-9-18-13-2-6-15-10-12(13)16-14(18)19/h2,6,10-11H,3-5,7-9H2,1H3,(H,16,19)
InChIKeySQYXIXCMNGDRIH-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.83
Rot. Bonds3

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

1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 114516207) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID114516207
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCN1CCC(CCn2c(=S)[nH]c3cnccc32)CC1
InChIInChI=1S/C14H20N4S/c1-17-7-3-11(4-8-17)5-9-18-13-2-6-15-10-12(13)16-14(18)19/h2,6,10-11H,3-5,7-9H2,1H3,(H,16,19)
InChIKeySQYXIXCMNGDRIH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 114516207) is 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is CN1CCC(CCn2c(=S)[nH]c3cnccc32)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is SQYXIXCMNGDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17-7-3-11(4-8-17)5-9-18-13-2-6-15-10-12(13)16-14(18)19/h2,6,10-11H,3-5,7-9H2,1H3,(H,16,19).
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 276.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 114516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).