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

C15H19N3S — CID 81138142

IUPAC3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CC(C3CC3)C3CC3)c2n1
InChIInChI=1S/C15H19N3S/c1-9-2-7-13-14(16-9)18(15(19)17-13)8-12(10-3-4-10)11-5-6-11/h2,7,10-12H,3-6,8H2,1H3,(H,17,19)
InChIKeyURWUWNWLLSUWNF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.84
Rot. Bonds4

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

3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138142) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138142
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CC(C3CC3)C3CC3)c2n1
InChIInChI=1S/C15H19N3S/c1-9-2-7-13-14(16-9)18(15(19)17-13)8-12(10-3-4-10)11-5-6-11/h2,7,10-12H,3-6,8H2,1H3,(H,17,19)
InChIKeyURWUWNWLLSUWNF-UHFFFAOYSA-N
XLogP3.84
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.84
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

3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
3-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138357
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
3-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138679
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138899
5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106019587
5-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138282
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290431

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138142) is 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(CC(C3CC3)C3CC3)c2n1.
What is the InChIKey of 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is URWUWNWLLSUWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-9-2-7-13-14(16-9)18(15(19)17-13)8-12(10-3-4-10)11-5-6-11/h2,7,10-12H,3-6,8H2,1H3,(H,17,19).
What are the key properties of 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 273.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).