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

C13H11N3OS — CID 79290028

IUPAC3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1
InChIInChI=1S/C13H11N3OS/c1-17-10-6-4-9(5-7-10)16-12-11(15-13(16)18)3-2-8-14-12/h2-8H,1H3,(H,15,18)
InChIKeyCYNBXOCFNCDSPK-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.09
Rot. Bonds2

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

3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79290028) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79290028
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1
InChIInChI=1S/C13H11N3OS/c1-17-10-6-4-9(5-7-10)16-12-11(15-13(16)18)3-2-8-14-12/h2-8H,1H3,(H,15,18)
InChIKeyCYNBXOCFNCDSPK-UHFFFAOYSA-N
XLogP3.09
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.09
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

3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289232
4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565458
3-(4-methoxy-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290120
3-(4-butylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289797
3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290109
3-(1,3-benzothiazol-6-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107805933
3-(3,5-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79280153
3-(2,6-difluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 82820193
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
1-(4-methoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 15652997
3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290132
6-hydroxy-5-[[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 124530452

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79290028) is 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc(-n2c(=S)[nH]c3cccnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CYNBXOCFNCDSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-10-6-4-9(5-7-10)16-12-11(15-13(16)18)3-2-8-14-12/h2-8H,1H3,(H,15,18).
What are the key properties of 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 257.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79290028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).