2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H6BrF3N2OS — CID 21215135

IUPAC2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C10H6BrF3N2OS/c11-7-3-1-6(2-4-7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyDINUNYYPVURFFU-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.14
Rot. Bonds3

About 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 21215135) has the molecular formula C10H6BrF3N2OS and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID21215135
Molecular FormulaC10H6BrF3N2OS
Molecular Weight339.14 g/mol
Exact Mass337.93
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C10H6BrF3N2OS/c11-7-3-1-6(2-4-7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyDINUNYYPVURFFU-UHFFFAOYSA-N
XLogP4.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 4191710
2-[(4-Methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215196
2-[(4-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215197
2-Benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215153
[5-[(4-Bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 43841927
2-[5-[(4-Bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 43841930
3-[5-[(4-Bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 43841931
2-[(4-Bromo-2-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47132208
2-[(4-Bromo-2-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
CID 55028479
2-[(2-Bromo-4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
CID 55028802
2-[(5-Bromo-2-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 60593534
2-[(3-Bromo-4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
CID 61035089

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 21215135) is 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(SCc2ccc(Br)cc2)o1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is DINUNYYPVURFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2OS/c11-7-3-1-6(2-4-7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 339.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 21215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).