3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole

C10H6BrF3N2S — CID 102943192

IUPAC3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(Cc2nc(Br)ns2)cc1
InChIInChI=1S/C10H6BrF3N2S/c11-9-15-8(17-16-9)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKeyMRTOAUSXXSXVHH-UHFFFAOYSA-N
MW323.14 g/mol
LogP3.91
Rot. Bonds2

About 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole

3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole (PubChem CID 102943192) has the molecular formula C10H6BrF3N2S and a molecular weight of 323.14 g/mol. Its IUPAC name is 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
PubChem CID102943192
Molecular FormulaC10H6BrF3N2S
Molecular Weight323.14 g/mol
Exact Mass321.94
IUPAC Name3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(Cc2nc(Br)ns2)cc1
InChIInChI=1S/C10H6BrF3N2S/c11-9-15-8(17-16-9)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKeyMRTOAUSXXSXVHH-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine
CID 90898420
4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
CID 159038267
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 151993760
3-bromo-4-fluoro-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
CID 68654677
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole (CID 102943192) is 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole is FC(F)(F)c1ccc(Cc2nc(Br)ns2)cc1.
What is the InChIKey of 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The InChIKey is MRTOAUSXXSXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2S/c11-9-15-8(17-16-9)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2.
What are the key properties of 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole has a molecular weight of 323.14 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).