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

C15H11FN2S — CID 44556653

IUPAC2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9H,1H3
InChIKeyXQIJDUVAJXBEPE-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.32
Rot. Bonds2

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

2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (PubChem CID 44556653) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
PubChem CID44556653
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1
InChIInChI=1S/C15H11FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9H,1H3
InChIKeyXQIJDUVAJXBEPE-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (CID 44556653) is 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is XQIJDUVAJXBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
2-(3-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-(3-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 44556653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).