6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

C11H7BrFN3S — CID 107646691

IUPAC6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(F)c(Br)c3)nc2s1
InChIInChI=1S/C11H7BrFN3S/c1-6-15-16-5-10(14-11(16)17-6)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyOQSWWANIKXAQPC-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.67
Rot. Bonds1

About 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646691) has the molecular formula C11H7BrFN3S and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646691
Molecular FormulaC11H7BrFN3S
Molecular Weight312.17 g/mol
Exact Mass310.95
IUPAC Name6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(F)c(Br)c3)nc2s1
InChIInChI=1S/C11H7BrFN3S/c1-6-15-16-5-10(14-11(16)17-6)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyOQSWWANIKXAQPC-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646686
2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 4173731
2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 157083559
2-(3-bromo-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 113303187
6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646529
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
CID 82487191
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
2-bromo-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2,2-dimethylpropane
CID 145380200
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646691) is 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3ccc(F)c(Br)c3)nc2s1.
What is the InChIKey of 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is OQSWWANIKXAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3S/c1-6-15-16-5-10(14-11(16)17-6)7-2-3-9(13)8(12)4-7/h2-5H,1H3.
What are the key properties of 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 312.17 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).