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

C8H7BrN4OS — CID 79306600

IUPAC2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C8H7BrN4OS/c9-4-1-5-7(11-2-4)13(3-6(10)14)8(15)12-5/h1-2H,3H2,(H2,10,14)(H,12,15)
InChIKeyQOIZQXIERRCHEL-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.34
Rot. Bonds2

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

2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (PubChem CID 79306600) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
PubChem CID79306600
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC Name2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C8H7BrN4OS/c9-4-1-5-7(11-2-4)13(3-6(10)14)8(15)12-5/h1-2H,3H2,(H2,10,14)(H,12,15)
InChIKeyQOIZQXIERRCHEL-UHFFFAOYSA-N
XLogP1.34
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
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)acetamide?
The IUPAC name of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (CID 79306600) is 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is NC(=O)Cn1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The InChIKey is QOIZQXIERRCHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c9-4-1-5-7(11-2-4)13(3-6(10)14)8(15)12-5/h1-2H,3H2,(H2,10,14)(H,12,15).
What are the key properties of 2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide has a molecular weight of 287.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 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)acetamide is sourced from PubChem (CID 79306600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).