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

C15H11FN2S — CID 22611069

IUPAC5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-15(19-18-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyZFAMJZYKHRDBAW-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.32
Rot. Bonds2

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

5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole (PubChem CID 22611069) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
PubChem CID22611069
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nsc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-15(19-18-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyZFAMJZYKHRDBAW-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
1,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-
CID 198531
1,2,4-Thiadiazole, 3,5-bis(4-chlorophenyl)-
CID 199390
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
3,5-Bis(3-bromophenyl)-1,2,4-thiadiazole
CID 11784241
3,5-Bis(3-methylphenyl)-1,2,4-thiadiazole
CID 12846880
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487
5-(Chloromethyl)-3-phenyl-1,2,4-thiadiazole
CID 44452479
3,5-Bis(2-iodophenyl)-1,2,4-thiadiazole
CID 54756790

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole (CID 22611069) is 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole is Cc1ccc(-c2nsc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is ZFAMJZYKHRDBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-15(19-18-14)12-6-8-13(16)9-7-12/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole?
5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 270.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 22611069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).