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

C17H19N3S — CID 79278331

IUPAC3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1ccccc1C(C)(C)C
InChIInChI=1S/C17H19N3S/c1-11-9-13-15(18-10-11)20(16(21)19-13)14-8-6-5-7-12(14)17(2,3)4/h5-10H,1-4H3,(H,19,21)
InChIKeyADRAUTPJXOVFAZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.69
Rot. Bonds1

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

3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79278331) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79278331
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1ccccc1C(C)(C)C
InChIInChI=1S/C17H19N3S/c1-11-9-13-15(18-10-11)20(16(21)19-13)14-8-6-5-7-12(14)17(2,3)4/h5-10H,1-4H3,(H,19,21)
InChIKeyADRAUTPJXOVFAZ-UHFFFAOYSA-N
XLogP4.69
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79278331) is 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2-c1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ADRAUTPJXOVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-9-13-15(18-10-11)20(16(21)19-13)14-8-6-5-7-12(14)17(2,3)4/h5-10H,1-4H3,(H,19,21).
What are the key properties of 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 297.43 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79278331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).