6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

C9H6BrN3OS — CID 107646529

IUPAC6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(Br)o3)nc2s1
InChIInChI=1S/C9H6BrN3OS/c1-5-12-13-4-6(11-9(13)15-5)7-2-3-8(10)14-7/h2-4H,1H3
InChIKeyDYKXBXRGEIUUKF-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.12
Rot. Bonds1

About 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646529) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646529
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC Name6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(Br)o3)nc2s1
InChIInChI=1S/C9H6BrN3OS/c1-5-12-13-4-6(11-9(13)15-5)7-2-3-8(10)14-7/h2-4H,1H3
InChIKeyDYKXBXRGEIUUKF-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 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646529) is 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3ccc(Br)o3)nc2s1.
What is the InChIKey of 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DYKXBXRGEIUUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c1-5-12-13-4-6(11-9(13)15-5)7-2-3-8(10)14-7/h2-4H,1H3.
What are the key properties of 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(5-bromofuran-2-yl)-2-methylimidazo[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 6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).