2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole

C11H8BrClFNOS — CID 65201654

IUPAC2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
SMILESFc1cc(OCc2nc(CCl)cs2)ccc1Br
InChIInChI=1S/C11H8BrClFNOS/c12-9-2-1-8(3-10(9)14)16-5-11-15-7(4-13)6-17-11/h1-3,6H,4-5H2
InChIKeyLSOYOQZFJGFTKA-UHFFFAOYSA-N
MW336.61 g/mol
LogP4.36
Rot. Bonds4

About 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole

2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole (PubChem CID 65201654) has the molecular formula C11H8BrClFNOS and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
PubChem CID65201654
Molecular FormulaC11H8BrClFNOS
Molecular Weight336.61 g/mol
Exact Mass334.92
IUPAC Name2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
SMILESFc1cc(OCc2nc(CCl)cs2)ccc1Br
InChIInChI=1S/C11H8BrClFNOS/c12-9-2-1-8(3-10(9)14)16-5-11-15-7(4-13)6-17-11/h1-3,6H,4-5H2
InChIKeyLSOYOQZFJGFTKA-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-bromo-4-fluorophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 83234147
4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 65203970
4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
CID 65201517
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
CID 107373790
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
2-[3-(3-bromophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320173
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole (CID 65201654) is 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole is Fc1cc(OCc2nc(CCl)cs2)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole?
The InChIKey is LSOYOQZFJGFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNOS/c12-9-2-1-8(3-10(9)14)16-5-11-15-7(4-13)6-17-11/h1-3,6H,4-5H2.
What are the key properties of 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole?
2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole has a molecular weight of 336.61 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 65201654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).