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

C15H15N3S — CID 79293547

IUPAC3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(C)c1
InChIInChI=1S/C15H15N3S/c1-9-4-5-13(11(3)6-9)18-14-12(17-15(18)19)7-10(2)8-16-14/h4-8H,1-3H3,(H,17,19)
InChIKeyARVRJJZGLNEIET-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.01
Rot. Bonds1

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

3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293547) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293547
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(C)c1
InChIInChI=1S/C15H15N3S/c1-9-4-5-13(11(3)6-9)18-14-12(17-15(18)19)7-10(2)8-16-14/h4-8H,1-3H3,(H,17,19)
InChIKeyARVRJJZGLNEIET-UHFFFAOYSA-N
XLogP4.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.01
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-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293547) is 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ARVRJJZGLNEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-4-5-13(11(3)6-9)18-14-12(17-15(18)19)7-10(2)8-16-14/h4-8H,1-3H3,(H,17,19).
What are the key properties of 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 269.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).