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

C11H14BrN3S2 — CID 79306326

IUPAC6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCSCC(C)Cn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H14BrN3S2/c1-7(6-17-2)5-15-10-9(14-11(15)16)3-8(12)4-13-10/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyVIGFUJCFCABYRT-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.86
Rot. Bonds4

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

6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306326) has the molecular formula C11H14BrN3S2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306326
Molecular FormulaC11H14BrN3S2
Molecular Weight332.29 g/mol
Exact Mass330.98
IUPAC Name6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCSCC(C)Cn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H14BrN3S2/c1-7(6-17-2)5-15-10-9(14-11(15)16)3-8(12)4-13-10/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyVIGFUJCFCABYRT-UHFFFAOYSA-N
XLogP3.86
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.86
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

6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306746
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79306600
6-bromo-3-(cyclopentylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306904
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-[2-(5-bromothiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106034934
6-chloro-3-(3-methyl-2-propan-2-ylbutyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 102906759
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-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306326) is 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione is CSCC(C)Cn1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is VIGFUJCFCABYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S2/c1-7(6-17-2)5-15-10-9(14-11(15)16)3-8(12)4-13-10/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 332.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).