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

C9H4BrFN4S — CID 83125234

IUPAC2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(Br)sc3n2)nc1
InChIInChI=1S/C9H4BrFN4S/c10-8-14-15-4-7(13-9(15)16-8)6-2-1-5(11)3-12-6/h1-4H
InChIKeyAUEFAMUANDSBFH-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.75
Rot. Bonds1

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

2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 83125234) has the molecular formula C9H4BrFN4S and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID83125234
Molecular FormulaC9H4BrFN4S
Molecular Weight299.13 g/mol
Exact Mass297.93
IUPAC Name2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(Br)sc3n2)nc1
InChIInChI=1S/C9H4BrFN4S/c10-8-14-15-4-7(13-9(15)16-8)6-2-1-5(11)3-12-6/h1-4H
InChIKeyAUEFAMUANDSBFH-UHFFFAOYSA-N
XLogP2.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.75
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-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 83125234) is 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc(-c2cn3nc(Br)sc3n2)nc1.
What is the InChIKey of 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is AUEFAMUANDSBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN4S/c10-8-14-15-4-7(13-9(15)16-8)6-2-1-5(11)3-12-6/h1-4H.
What are the key properties of 2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 299.13 g/mol, XLogP of 2.75, 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-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 83125234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).