2-(2,6-difluorophenyl)-1,3,4-thiadiazole

C8H4F2N2S — CID 130052530

IUPAC2-(2,6-difluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(F)c1-c1nncs1
InChIInChI=1S/C8H4F2N2S/c9-5-2-1-3-6(10)7(5)8-12-11-4-13-8/h1-4H
InChIKeyULPBWAOCWULYMI-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.48
Rot. Bonds1

About 2-(2,6-difluorophenyl)-1,3,4-thiadiazole

2-(2,6-difluorophenyl)-1,3,4-thiadiazole (PubChem CID 130052530) has the molecular formula C8H4F2N2S and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3,4-thiadiazole
PubChem CID130052530
Molecular FormulaC8H4F2N2S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name2-(2,6-difluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(F)c1-c1nncs1
InChIInChI=1S/C8H4F2N2S/c9-5-2-1-3-6(10)7(5)8-12-11-4-13-8/h1-4H
InChIKeyULPBWAOCWULYMI-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
5-(2,6-Difluorophenyl)-1,3,4-thiadiazol-2-amine
CID 935312
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
2-(4-Bromophenyl)-1,3,4-thiadiazole
CID 83824888
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
2-(5-Phenyl-1,3,4-thiadiazol-2-yl)acetonitrile
CID 8812945

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3,4-thiadiazole (CID 130052530) is 2-(2,6-difluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3,4-thiadiazole is Fc1cccc(F)c1-c1nncs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3,4-thiadiazole?
The InChIKey is ULPBWAOCWULYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2S/c9-5-2-1-3-6(10)7(5)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(2,6-difluorophenyl)-1,3,4-thiadiazole?
2-(2,6-difluorophenyl)-1,3,4-thiadiazole has a molecular weight of 198.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).