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

C14H14N4S — CID 114701133

IUPAC6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2Cc1ccncc1C
InChIInChI=1S/C14H14N4S/c1-9-5-12-13(16-6-9)18(14(19)17-12)8-11-3-4-15-7-10(11)2/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyMGDPXBUNHUUKJQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.15
Rot. Bonds2

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

6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114701133) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114701133
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2Cc1ccncc1C
InChIInChI=1S/C14H14N4S/c1-9-5-12-13(16-6-9)18(14(19)17-12)8-11-3-4-15-7-10(11)2/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyMGDPXBUNHUUKJQ-UHFFFAOYSA-N
XLogP3.15
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione with MolForge

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Related Compounds

6-bromo-3-[(4-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114956834
6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 103592532
6-bromo-5-fluoro-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 114701134
6-methyl-3-[(5-methylfuran-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301518
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374818
3-[(3-methyl-4-pyridinyl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 114701241
6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104591854
6-methyl-3-(7-methyloctyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107816876
4-ethyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazole-2-thione
CID 114701494
1-ethyl-3-methyl-6-[(3-methyl-4-pyridinyl)methyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 114701145
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 114701133) is 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2Cc1ccncc1C.
What is the InChIKey of 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is MGDPXBUNHUUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-5-12-13(16-6-9)18(14(19)17-12)8-11-3-4-15-7-10(11)2/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 270.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114701133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).