2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole

C14H8F2N2S — CID 139674362

IUPAC2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nnc(-c3cccc(F)c3)s2)c1
InChIInChI=1S/C14H8F2N2S/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyRPADQMFJRJTPEJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.15
Rot. Bonds2

About 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole

2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 139674362) has the molecular formula C14H8F2N2S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID139674362
Molecular FormulaC14H8F2N2S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nnc(-c3cccc(F)c3)s2)c1
InChIInChI=1S/C14H8F2N2S/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyRPADQMFJRJTPEJ-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
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
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
5-(2,6-Difluorophenyl)-1,3,4-thiadiazol-2-amine
CID 935312
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole (CID 139674362) is 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole is Fc1cccc(-c2nnc(-c3cccc(F)c3)s2)c1.
What is the InChIKey of 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is RPADQMFJRJTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2S/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H.
What are the key properties of 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole?
2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 274.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139674362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).