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

C15H15N3OS — CID 81138281

IUPAC3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCOc1cccc(-n2c(=S)[nH]c3ccc(C)nc32)c1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-5-11(9-12)18-14-13(17-15(18)20)8-7-10(2)16-14/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyXTGDUQQALRDMRX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.79
Rot. Bonds3

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

3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138281) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138281
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCOc1cccc(-n2c(=S)[nH]c3ccc(C)nc32)c1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-5-11(9-12)18-14-13(17-15(18)20)8-7-10(2)16-14/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyXTGDUQQALRDMRX-UHFFFAOYSA-N
XLogP3.79
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.79
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-methyl-3-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140426
3-(3-bromo-4-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81137985
3-(2,6-dichlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138996
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584
5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81139416
3-isoquinolin-8-yl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81141038
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 81138271
3-[(3-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138668
3-(2-ethoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321671
5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114174222
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138281) is 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCOc1cccc(-n2c(=S)[nH]c3ccc(C)nc32)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is XTGDUQQALRDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-19-12-6-4-5-11(9-12)18-14-13(17-15(18)20)8-7-10(2)16-14/h4-9H,3H2,1-2H3,(H,17,20).
What are the key properties of 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 285.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).