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

C10H4F6N2S2 — CID 71384577

IUPAC2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(Sc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H4F6N2S2/c11-9(12,13)5-2-1-3-6(4-5)19-8-18-17-7(20-8)10(14,15)16/h1-4H
InChIKeyUBMUNRPZYAEGRU-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.73
Rot. Bonds2

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

2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole (PubChem CID 71384577) has the molecular formula C10H4F6N2S2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole
PubChem CID71384577
Molecular FormulaC10H4F6N2S2
Molecular Weight330.28 g/mol
Exact Mass329.97
IUPAC Name2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(Sc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C10H4F6N2S2/c11-9(12,13)5-2-1-3-6(4-5)19-8-18-17-7(20-8)10(14,15)16/h1-4H
InChIKeyUBMUNRPZYAEGRU-UHFFFAOYSA-N
XLogP4.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole (CID 71384577) is 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole is FC(F)(F)c1cccc(Sc2nnc(C(F)(F)F)s2)c1.
What is the InChIKey of 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole?
The InChIKey is UBMUNRPZYAEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2S2/c11-9(12,13)5-2-1-3-6(4-5)19-8-18-17-7(20-8)10(14,15)16/h1-4H.
What are the key properties of 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole?
2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole has a molecular weight of 330.28 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 71384577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).