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

C14H9FN2S — CID 139674320

IUPAC2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H9FN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOFWXTIXWDHRPFQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.01
Rot. Bonds2

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

2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 139674320) has the molecular formula C14H9FN2S and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID139674320
Molecular FormulaC14H9FN2S
Molecular Weight256.31 g/mol
Exact Mass256.05
IUPAC Name2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H9FN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOFWXTIXWDHRPFQ-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.01
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
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole (CID 139674320) is 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole is Fc1ccc(-c2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is OFWXTIXWDHRPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 256.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 139674320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).