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

C15H21N3OS — CID 115321958

IUPAC3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)(C)CC3)c2n1
InChIInChI=1S/C15H21N3OS/c1-15(2)8-6-10(7-9-15)18-13-11(16-14(18)20)4-5-12(17-13)19-3/h4-5,10H,6-9H2,1-3H3,(H,16,20)
InChIKeyRKYONJXWRCDTBZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.24
Rot. Bonds2

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

3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 115321958) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID115321958
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)(C)CC3)c2n1
InChIInChI=1S/C15H21N3OS/c1-15(2)8-6-10(7-9-15)18-13-11(16-14(18)20)4-5-12(17-13)19-3/h4-5,10H,6-9H2,1-3H3,(H,16,20)
InChIKeyRKYONJXWRCDTBZ-UHFFFAOYSA-N
XLogP4.24
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4,4-dimethylcyclohexyl)-5-methoxy-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

5-methoxy-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321738
5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104963464
3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321975
5-methoxy-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115322027
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
3-(2-cyclopropylethyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286821
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 105419282
6-bromo-3-(4,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306990
6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 175576452
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
CID 145484781
3-(3,3-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 114548374
5-methoxy-3-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286822

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (CID 115321958) is 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(C3CCC(C)(C)CC3)c2n1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is RKYONJXWRCDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2)8-6-10(7-9-15)18-13-11(16-14(18)20)4-5-12(17-13)19-3/h4-5,10H,6-9H2,1-3H3,(H,16,20).
What are the key properties of 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 291.42 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 115321958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).