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

C11H15N3S — CID 79293249

IUPAC3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCn1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C11H15N3S/c1-3-4-5-14-10-9(13-11(14)15)6-8(2)7-12-10/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyCTPPBNWVUASBPA-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.20
Rot. Bonds3

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

3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293249) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293249
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCn1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C11H15N3S/c1-3-4-5-14-10-9(13-11(14)15)6-8(2)7-12-10/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyCTPPBNWVUASBPA-UHFFFAOYSA-N
XLogP3.20
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(7-methyloctyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107816876
6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293265
3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293045
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301732
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374818
6-methyl-3-[(5-methylfuran-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301518
6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104591854
6-methyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79563083
6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114701133
3-butyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 90345979
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293249) is 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCCCn1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CTPPBNWVUASBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-4-5-14-10-9(13-11(14)15)6-8(2)7-12-10/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 221.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).