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

C12H15N3S — CID 79293834

IUPAC3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1CCCC1
InChIInChI=1S/C12H15N3S/c1-8-6-10-11(13-7-8)15(12(16)14-10)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16)
InChIKeyDFBUWMDFYMDIEX-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.52
Rot. Bonds1

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

3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293834) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293834
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1CCCC1
InChIInChI=1S/C12H15N3S/c1-8-6-10-11(13-7-8)15(12(16)14-10)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16)
InChIKeyDFBUWMDFYMDIEX-UHFFFAOYSA-N
XLogP3.52
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.52
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-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
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263
3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79300743
6-bromo-3-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307046
6-bromo-3-(4,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306990
6-methyl-3-(thian-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 80612020
6-chloro-3-(3-methoxycyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114118168
6-bromo-3-(3,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306919
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293181
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293834) is 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is DFBUWMDFYMDIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-6-10-11(13-7-8)15(12(16)14-10)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 233.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).