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

C15H11FN2S — CID 71504911

IUPAC2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyOKYIGGQRAPJUCH-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.32
Rot. Bonds2

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

2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (PubChem CID 71504911) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
PubChem CID71504911
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyOKYIGGQRAPJUCH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (CID 71504911) is 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is OKYIGGQRAPJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-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 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 71504911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).