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

C15H23N3S — CID 79293265

IUPAC6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C15H23N3S/c1-4-5-6-7-8-12(3)18-14-13(17-15(18)19)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,17,19)
InChIKeyZHRMUEMMCIAHRK-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.93
Rot. Bonds6

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

6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293265) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293265
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C15H23N3S/c1-4-5-6-7-8-12(3)18-14-13(17-15(18)19)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,17,19)
InChIKeyZHRMUEMMCIAHRK-UHFFFAOYSA-N
XLogP4.93
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293045
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
6-methyl-3-(4,4,4-trifluorobutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114129471
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312
6-methyl-3-(7-methyloctyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107816876
ethyl 2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanoate
CID 79293703
6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306746
3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79300743
6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106389035
6-chloro-3-octan-2-yl-1H-benzimidazole-2-thione
CID 55221065
6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104591854
3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 114251189

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293265) is 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is CCCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ZHRMUEMMCIAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-5-6-7-8-12(3)18-14-13(17-15(18)19)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 277.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).