3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C14H19N3S — CID 79300743

IUPAC3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C(C)C1CCCC1
InChIInChI=1S/C14H19N3S/c1-9-7-12-13(15-8-9)17(14(18)16-12)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,16,18)
InChIKeyJUAVKYMCIBIFAY-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.15
Rot. Bonds2

About 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79300743) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79300743
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C(C)C1CCCC1
InChIInChI=1S/C14H19N3S/c1-9-7-12-13(15-8-9)17(14(18)16-12)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,16,18)
InChIKeyJUAVKYMCIBIFAY-UHFFFAOYSA-N
XLogP4.15
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306312
3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293834
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263
6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106389035
6-methyl-3-(4,4,4-trifluorobutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114129471
6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293265
3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293045
ethyl 2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanoate
CID 79293703
6-methyl-3-(thian-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 80612020
6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293623
6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79362927

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79300743) is 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2C(C)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is JUAVKYMCIBIFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-7-12-13(15-8-9)17(14(18)16-12)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 261.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79300743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).