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

C14H19N3OS — CID 104963464

IUPAC5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)CC3)c2n1
InChIInChI=1S/C14H19N3OS/c1-9-3-5-10(6-4-9)17-13-11(15-14(17)19)7-8-12(16-13)18-2/h7-10H,3-6H2,1-2H3,(H,15,19)
InChIKeyRIDCCPBCTBIVCP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.85
Rot. Bonds2

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

5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 104963464) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID104963464
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)CC3)c2n1
InChIInChI=1S/C14H19N3OS/c1-9-3-5-10(6-4-9)17-13-11(15-14(17)19)7-8-12(16-13)18-2/h7-10H,3-6H2,1-2H3,(H,15,19)
InChIKeyRIDCCPBCTBIVCP-UHFFFAOYSA-N
XLogP3.85
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321738
3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321958
3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321975
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548243
3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289629
5-methoxy-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115322027
3-(2-cyclopropylethyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286821
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-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 105419282
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 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 104963464) is 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(C3CCC(C)CC3)c2n1.
What is the InChIKey of 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is RIDCCPBCTBIVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-3-5-10(6-4-9)17-13-11(15-14(17)19)7-8-12(16-13)18-2/h7-10H,3-6H2,1-2H3,(H,15,19).
What are the key properties of 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione?
5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 277.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 104963464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).