2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole

C12H9BrF3NO2S — CID 102714697

IUPAC2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C12H9BrF3NO2S/c1-7-6-20-11(17-7)5-18-8-2-3-10(9(13)4-8)19-12(14,15)16/h2-4,6H,5H2,1H3
InChIKeyNZYAGVNVAZBLJP-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.69
Rot. Bonds4

About 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole

2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole (PubChem CID 102714697) has the molecular formula C12H9BrF3NO2S and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
PubChem CID102714697
Molecular FormulaC12H9BrF3NO2S
Molecular Weight368.17 g/mol
Exact Mass366.95
IUPAC Name2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C12H9BrF3NO2S/c1-7-6-20-11(17-7)5-18-8-2-3-10(9(13)4-8)19-12(14,15)16/h2-4,6H,5H2,1H3
InChIKeyNZYAGVNVAZBLJP-UHFFFAOYSA-N
XLogP4.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
CID 102674590
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
2-bromo-4-(2-butoxyethoxy)-1-(trifluoromethoxy)benzene
CID 102714755

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole (CID 102714697) is 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole is Cc1csc(COc2ccc(OC(F)(F)F)c(Br)c2)n1.
What is the InChIKey of 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole?
The InChIKey is NZYAGVNVAZBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO2S/c1-7-6-20-11(17-7)5-18-8-2-3-10(9(13)4-8)19-12(14,15)16/h2-4,6H,5H2,1H3.
What are the key properties of 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole?
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole has a molecular weight of 368.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 102714697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).