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

C11H12BrN3S — CID 79306312

IUPAC6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC(C1CC1)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H12BrN3S/c1-6(7-2-3-7)15-10-9(14-11(15)16)4-8(12)5-13-10/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyCXKLLVQRMZTHCN-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.83
Rot. Bonds2

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

6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306312) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306312
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC(C1CC1)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H12BrN3S/c1-6(7-2-3-7)15-10-9(14-11(15)16)4-8(12)5-13-10/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyCXKLLVQRMZTHCN-UHFFFAOYSA-N
XLogP3.83
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
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

3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79300743
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)-N,N-dimethylpropanamide
CID 79306682
6-bromo-3-(1-pyridin-3-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306169
6-bromo-3-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307046
6-bromo-3-(4,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306990
methyl 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-4-methylpentanoate
CID 79306983
6-bromo-3-(2,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306477
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-[1-(1,3-thiazol-2-yl)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306184
6-bromo-3-(cyclopentylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306904
6-bromo-3-(3,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306919

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306312) is 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione is CC(C1CC1)n1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CXKLLVQRMZTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-6(7-2-3-7)15-10-9(14-11(15)16)4-8(12)5-13-10/h4-7H,2-3H2,1H3,(H,14,16).
What are the key properties of 6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 298.21 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-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).