6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

C10H12BrN3S — CID 79306746

IUPAC6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCC(C)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3S/c1-3-6(2)14-9-8(13-10(14)15)4-7(11)5-12-9/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyZZKQMOKWVCIINM-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.83
Rot. Bonds2

About 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306746) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306746
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCC(C)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3S/c1-3-6(2)14-9-8(13-10(14)15)4-7(11)5-12-9/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyZZKQMOKWVCIINM-UHFFFAOYSA-N
XLogP3.83
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.83
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-bromo-3-[1-(1,3-thiazol-2-yl)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306184
6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306312
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-(1-pyridin-3-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306169
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide
CID 79306682
methyl 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-4-methylpentanoate
CID 79306983
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312
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
6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306326
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-methyl-3-(4,4,4-trifluorobutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114129471

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306746) is 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is CCC(C)n1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ZZKQMOKWVCIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-3-6(2)14-9-8(13-10(14)15)4-7(11)5-12-9/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 286.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).