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

C12H8BrFN2S — CID 82973251

IUPAC6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc(Br)cc3F)cn12
InChIInChI=1S/C12H8BrFN2S/c1-7-6-17-12-15-11(5-16(7)12)9-3-2-8(13)4-10(9)14/h2-6H,1H3
InChIKeyWLBYBQWSQCRDEE-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.27
Rot. Bonds1

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

6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 82973251) has the molecular formula C12H8BrFN2S and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID82973251
Molecular FormulaC12H8BrFN2S
Molecular Weight311.18 g/mol
Exact Mass309.96
IUPAC Name6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccc(Br)cc3F)cn12
InChIInChI=1S/C12H8BrFN2S/c1-7-6-17-12-15-11(5-16(7)12)9-3-2-8(13)4-10(9)14/h2-6H,1H3
InChIKeyWLBYBQWSQCRDEE-UHFFFAOYSA-N
XLogP4.27
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole (CID 82973251) is 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole is Cc1csc2nc(-c3ccc(Br)cc3F)cn12.
What is the InChIKey of 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is WLBYBQWSQCRDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2S/c1-7-6-17-12-15-11(5-16(7)12)9-3-2-8(13)4-10(9)14/h2-6H,1H3.
What are the key properties of 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole?
6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 311.18 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82973251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).