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

C15H13FN2S — CID 3704631

IUPAC2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccc(F)c3)S2)cc1
InChIInChI=1S/C15H13FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9,15,18H,1H3
InChIKeyOMVYXQCHRMYOEY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.83
Rot. Bonds2

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

2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 3704631) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID3704631
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccc(F)c3)S2)cc1
InChIInChI=1S/C15H13FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9,15,18H,1H3
InChIKeyOMVYXQCHRMYOEY-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 3704631) is 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2=NNC(c3cccc(F)c3)S2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is OMVYXQCHRMYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10-5-7-11(8-6-10)14-17-18-15(19-14)12-3-2-4-13(16)9-12/h2-9,15,18H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 3704631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).