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

C14H13N3OS — CID 79290120

IUPAC3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1C
InChIInChI=1S/C14H13N3OS/c1-9-8-10(5-6-12(9)18-2)17-13-11(16-14(17)19)4-3-7-15-13/h3-8H,1-2H3,(H,16,19)
InChIKeyOGORTOIFJLMBKX-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.40
Rot. Bonds2

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

3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79290120) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79290120
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1C
InChIInChI=1S/C14H13N3OS/c1-9-8-10(5-6-12(9)18-2)17-13-11(16-14(17)19)4-3-7-15-13/h3-8H,1-2H3,(H,16,19)
InChIKeyOGORTOIFJLMBKX-UHFFFAOYSA-N
XLogP3.40
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79290120) is 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc(-n2c(=S)[nH]c3cccnc32)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is OGORTOIFJLMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-10(5-6-12(9)18-2)17-13-11(16-14(17)19)4-3-7-15-13/h3-8H,1-2H3,(H,16,19).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 271.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79290120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).