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

C15H15N3S — CID 79293910

IUPAC3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C15H15N3S/c1-3-11-6-4-5-7-13(11)18-14-12(17-15(18)19)8-10(2)9-16-14/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyXVJPPHOWLHXTQN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds2

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

3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293910) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293910
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C15H15N3S/c1-3-11-6-4-5-7-13(11)18-14-12(17-15(18)19)8-10(2)9-16-14/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyXVJPPHOWLHXTQN-UHFFFAOYSA-N
XLogP3.95
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293910) is 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is XVJPPHOWLHXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-3-11-6-4-5-7-13(11)18-14-12(17-15(18)19)8-10(2)9-16-14/h4-9H,3H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 269.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).