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

C14H21N3S — CID 79293045

IUPAC3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C14H21N3S/c1-4-5-6-7-11(3)17-13-12(16-14(17)18)8-10(2)9-15-13/h8-9,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyKDXKQYFXNCOVLR-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.54
Rot. Bonds5

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

3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293045) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293045
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C14H21N3S/c1-4-5-6-7-11(3)17-13-12(16-14(17)18)8-10(2)9-15-13/h8-9,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyKDXKQYFXNCOVLR-UHFFFAOYSA-N
XLogP4.54
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.54
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'}

Analyze 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293265
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 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293045) is 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCCCCC(C)n1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is KDXKQYFXNCOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-5-6-7-11(3)17-13-12(16-14(17)18)8-10(2)9-15-13/h8-9,11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 263.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).