6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole

C12H8BrFN2OS — CID 114672715

IUPAC6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(Br)cc1OCc1cn2ccsc2n1
InChIInChI=1S/C12H8BrFN2OS/c13-8-1-2-10(14)11(5-8)17-7-9-6-16-3-4-18-12(16)15-9/h1-6H,7H2
InChIKeyPNOUMJLODQZKMI-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.88
Rot. Bonds3

About 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole

6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 114672715) has the molecular formula C12H8BrFN2OS and a molecular weight of 327.18 g/mol. Its IUPAC name is 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID114672715
Molecular FormulaC12H8BrFN2OS
Molecular Weight327.18 g/mol
Exact Mass325.95
IUPAC Name6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(Br)cc1OCc1cn2ccsc2n1
InChIInChI=1S/C12H8BrFN2OS/c13-8-1-2-10(14)11(5-8)17-7-9-6-16-3-4-18-12(16)15-9/h1-6H,7H2
InChIKeyPNOUMJLODQZKMI-UHFFFAOYSA-N
XLogP3.88
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523
6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 103013389
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116619522
[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 107741325
5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
CID 78942968
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole (CID 114672715) is 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole is Fc1ccc(Br)cc1OCc1cn2ccsc2n1.
What is the InChIKey of 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is PNOUMJLODQZKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2OS/c13-8-1-2-10(14)11(5-8)17-7-9-6-16-3-4-18-12(16)15-9/h1-6H,7H2.
What are the key properties of 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 327.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 114672715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).