5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole

C10H7BrFNOS — CID 112640679

IUPAC5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2cncs2)cc1Br
InChIInChI=1S/C10H7BrFNOS/c11-9-3-7(1-2-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5H2
InChIKeyYRSLGGHYJBWTKK-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.62
Rot. Bonds3

About 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole

5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 112640679) has the molecular formula C10H7BrFNOS and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID112640679
Molecular FormulaC10H7BrFNOS
Molecular Weight288.14 g/mol
Exact Mass286.94
IUPAC Name5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2cncs2)cc1Br
InChIInChI=1S/C10H7BrFNOS/c11-9-3-7(1-2-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5H2
InChIKeyYRSLGGHYJBWTKK-UHFFFAOYSA-N
XLogP3.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
1-[2-bromo-5-(1,3-thiazol-5-ylmethoxy)phenyl]butan-2-amine
CID 112643638
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
CID 163255013
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole (CID 112640679) is 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(OCc2cncs2)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is YRSLGGHYJBWTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNOS/c11-9-3-7(1-2-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5H2.
What are the key properties of 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole?
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 288.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 112640679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).