5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine

C11H8BrF3N2O2S — CID 102714952

IUPAC5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(OC(F)(F)F)c(Br)c2)s1
InChIInChI=1S/C11H8BrF3N2O2S/c12-8-3-6(1-2-9(8)19-11(13,14)15)18-5-7-4-17-10(16)20-7/h1-4H,5H2,(H2,16,17)
InChIKeyPXRJTSQXWQQRTQ-UHFFFAOYSA-N
MW369.16 g/mol
LogP3.97
Rot. Bonds4

About 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine

5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine (PubChem CID 102714952) has the molecular formula C11H8BrF3N2O2S and a molecular weight of 369.16 g/mol. Its IUPAC name is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
PubChem CID102714952
Molecular FormulaC11H8BrF3N2O2S
Molecular Weight369.16 g/mol
Exact Mass367.94
IUPAC Name5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(OC(F)(F)F)c(Br)c2)s1
InChIInChI=1S/C11H8BrF3N2O2S/c12-8-3-6(1-2-9(8)19-11(13,14)15)18-5-7-4-17-10(16)20-7/h1-4H,5H2,(H2,16,17)
InChIKeyPXRJTSQXWQQRTQ-UHFFFAOYSA-N
XLogP3.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79775144
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
CID 102714697
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
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
CID 79774116
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
4-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]oxane
CID 102674570

Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine (CID 102714952) is 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2ccc(OC(F)(F)F)c(Br)c2)s1.
What is the InChIKey of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine?
The InChIKey is PXRJTSQXWQQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2S/c12-8-3-6(1-2-9(8)19-11(13,14)15)18-5-7-4-17-10(16)20-7/h1-4H,5H2,(H2,16,17).
What are the key properties of 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine?
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine has a molecular weight of 369.16 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 102714952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).