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

C8H8BrN3S — CID 79306089

IUPAC6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3S/c1-2-12-7-6(11-8(12)13)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,13)
InChIKeySWMGURWNUOFPLH-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.88
Rot. Bonds1

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

6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306089) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306089
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C8H8BrN3S/c1-2-12-7-6(11-8(12)13)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,13)
InChIKeySWMGURWNUOFPLH-UHFFFAOYSA-N
XLogP2.88
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.88
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-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-bromo-3-[(1-ethylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306027
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79306600
6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306326
6-bromo-3-(cyclopentylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306904
4-[(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 79306689
6-bromo-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374800
6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306746
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307040
6-bromo-3-(2-cyclobutylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113479064
6-bromo-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106105632
6-bromo-3-[(4-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114956834

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306089) is 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione is CCn1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is SWMGURWNUOFPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-2-12-7-6(11-8(12)13)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,13).
What are the key properties of 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 258.14 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).