2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

C12H11BrFNOS — CID 113353826

IUPAC2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2cc(Br)ccc2F)sc1C
InChIInChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(13)3-4-10(11)14/h3-5H,6H2,1-2H3
InChIKeyCLGQFONRYYPZIN-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.24
Rot. Bonds3

About 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 113353826) has the molecular formula C12H11BrFNOS and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID113353826
Molecular FormulaC12H11BrFNOS
Molecular Weight316.19 g/mol
Exact Mass314.97
IUPAC Name2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2cc(Br)ccc2F)sc1C
InChIInChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(13)3-4-10(11)14/h3-5H,6H2,1-2H3
InChIKeyCLGQFONRYYPZIN-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 113265047
5-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzonitrile
CID 80605077
5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 114676642
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114676838
(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719981
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912184
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4,5-dimethyl-1,3-thiazole
CID 113276966
[3,5-dibromo-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]methanamine
CID 107741218

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (CID 113353826) is 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(COc2cc(Br)ccc2F)sc1C.
What is the InChIKey of 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is CLGQFONRYYPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(13)3-4-10(11)14/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 316.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 113353826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).