2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C9H6BrN3OS — CID 43159283

IUPAC2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2cn3nc(Br)sc3n2)o1
InChIInChI=1S/C9H6BrN3OS/c1-5-2-3-7(14-5)6-4-13-9(11-6)15-8(10)12-13/h2-4H,1H3
InChIKeyLARBYUIJHRHBKW-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.12
Rot. Bonds1

About 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43159283) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43159283
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC Name2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2cn3nc(Br)sc3n2)o1
InChIInChI=1S/C9H6BrN3OS/c1-5-2-3-7(14-5)6-4-13-9(11-6)15-8(10)12-13/h2-4H,1H3
InChIKeyLARBYUIJHRHBKW-UHFFFAOYSA-N
XLogP3.12
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 43159283) is 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1ccc(-c2cn3nc(Br)sc3n2)o1.
What is the InChIKey of 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is LARBYUIJHRHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c1-5-2-3-7(14-5)6-4-13-9(11-6)15-8(10)12-13/h2-4H,1H3.
What are the key properties of 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 284.14 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43159283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).