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

C15H21N3S — CID 79289570

IUPAC3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC1CCCC(CCn2c(=S)[nH]c3cccnc32)C1
InChIInChI=1S/C15H21N3S/c1-11-4-2-5-12(10-11)7-9-18-14-13(17-15(18)19)6-3-8-16-14/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3,(H,17,19)
InChIKeyGNRDVIUKLDKNDS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.31
Rot. Bonds3

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

3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289570) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289570
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC1CCCC(CCn2c(=S)[nH]c3cccnc32)C1
InChIInChI=1S/C15H21N3S/c1-11-4-2-5-12(10-11)7-9-18-14-13(17-15(18)19)6-3-8-16-14/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3,(H,17,19)
InChIKeyGNRDVIUKLDKNDS-UHFFFAOYSA-N
XLogP4.31
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-fluoro-3-[2-(3-methylcyclohexyl)ethyl]-1H-benzimidazole-2-thione
CID 116737745
3-(2,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289322
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263
6-bromo-3-(2-cyclobutylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113479064
1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297477
3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289211
3-(4-methylpentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290049
3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289629
3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114617898
3-[(6-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289728
3-(3,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289407
3-(2-methyl-2-methylsulfonylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79562446

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289570) is 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is CC1CCCC(CCn2c(=S)[nH]c3cccnc32)C1.
What is the InChIKey of 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is GNRDVIUKLDKNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-4-2-5-12(10-11)7-9-18-14-13(17-15(18)19)6-3-8-16-14/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3,(H,17,19).
What are the key properties of 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 275.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).