2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide

C11H13BrN4OS — CID 79306682

IUPAC2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H13BrN4OS/c1-6(10(17)15(2)3)16-9-8(14-11(16)18)4-7(12)5-13-9/h4-6H,1-3H3,(H,14,18)
InChIKeyPZRGPMPSKLIXSB-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.51
Rot. Bonds2

About 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide

2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide (PubChem CID 79306682) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide
PubChem CID79306682
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C11H13BrN4OS/c1-6(10(17)15(2)3)16-9-8(14-11(16)18)4-7(12)5-13-9/h4-6H,1-3H3,(H,14,18)
InChIKeyPZRGPMPSKLIXSB-UHFFFAOYSA-N
XLogP2.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide (CID 79306682) is 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide?
The InChIKey is PZRGPMPSKLIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-6(10(17)15(2)3)16-9-8(14-11(16)18)4-7(12)5-13-9/h4-6H,1-3H3,(H,14,18).
What are the key properties of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide?
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide has a molecular weight of 329.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 79306682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).