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

C16H8F6N2S — CID 57390180

IUPAC3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccccc1-c1nsc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H8F6N2S/c17-15(18,19)11-7-3-1-5-9(11)13-23-14(25-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8H
InChIKeyMPDMGOZKRDEWLI-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.91
Rot. Bonds2

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

3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole (PubChem CID 57390180) has the molecular formula C16H8F6N2S and a molecular weight of 374.31 g/mol. Its IUPAC name is 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
PubChem CID57390180
Molecular FormulaC16H8F6N2S
Molecular Weight374.31 g/mol
Exact Mass374.03
IUPAC Name3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccccc1-c1nsc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H8F6N2S/c17-15(18,19)11-7-3-1-5-9(11)13-23-14(25-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8H
InChIKeyMPDMGOZKRDEWLI-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole (CID 57390180) is 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole is FC(F)(F)c1ccccc1-c1nsc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole?
The InChIKey is MPDMGOZKRDEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2S/c17-15(18,19)11-7-3-1-5-9(11)13-23-14(25-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8H.
What are the key properties of 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole?
3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole has a molecular weight of 374.31 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 57390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).