5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

C10H6BrF3N2OS — CID 107304603

IUPAC5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCc1ccc(Br)cc1Oc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H6BrF3N2OS/c1-5-2-3-6(11)4-7(5)17-9-15-8(16-18-9)10(12,13)14/h2-4H,1H3
InChIKeyDWWZUEOCGGCMTN-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.42
Rot. Bonds2

About 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107304603) has the molecular formula C10H6BrF3N2OS and a molecular weight of 339.14 g/mol. Its IUPAC name is 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107304603
Molecular FormulaC10H6BrF3N2OS
Molecular Weight339.14 g/mol
Exact Mass337.93
IUPAC Name5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCc1ccc(Br)cc1Oc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H6BrF3N2OS/c1-5-2-3-6(11)4-7(5)17-9-15-8(16-18-9)10(12,13)14/h2-4H,1H3
InChIKeyDWWZUEOCGGCMTN-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305803
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
2-(5-bromo-2-methylphenoxy)-1,3-thiazol-5-amine
CID 107283345
[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 107283221
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 114673390
5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304592
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305796
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107304603) is 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is Cc1ccc(Br)cc1Oc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is DWWZUEOCGGCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2OS/c1-5-2-3-6(11)4-7(5)17-9-15-8(16-18-9)10(12,13)14/h2-4H,1H3.
What are the key properties of 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 339.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107304603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).