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

C14H19N3OS — CID 115321975

IUPAC3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)C3C)c2n1
InChIInChI=1S/C14H19N3OS/c1-8-4-6-11(9(8)2)17-13-10(15-14(17)19)5-7-12(16-13)18-3/h5,7-9,11H,4,6H2,1-3H3,(H,15,19)
InChIKeyRDJPLODOIOPLMN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.71
Rot. Bonds2

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

3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 115321975) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID115321975
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(C3CCC(C)C3C)c2n1
InChIInChI=1S/C14H19N3OS/c1-8-4-6-11(9(8)2)17-13-10(15-14(17)19)5-7-12(16-13)18-3/h5,7-9,11H,4,6H2,1-3H3,(H,15,19)
InChIKeyRDJPLODOIOPLMN-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104963464
5-methoxy-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321738
5-methoxy-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115322027
3-(4,4-dimethylcyclohexyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321958
3-(2-cyclopropylethyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286821
5-methoxy-3-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286822
5-methoxy-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321666
3-[4-(dimethylamino)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321740
3-(3,4-dimethylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321690
2-(chloromethyl)-3-(2,3-dimethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322587
1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964312
3-(3-bromo-4-methoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321988

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (CID 115321975) is 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(C3CCC(C)C3C)c2n1.
What is the InChIKey of 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is RDJPLODOIOPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8-4-6-11(9(8)2)17-13-10(15-14(17)19)5-7-12(16-13)18-3/h5,7-9,11H,4,6H2,1-3H3,(H,15,19).
What are the key properties of 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 277.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 115321975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).