5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole

C15H11F3N2S — CID 2871289

IUPAC5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)12-8-6-11(7-9-12)14-20-19-13(21-14)10-4-2-1-3-5-10/h1-9,14,20H
InChIKeyHQETUVZQDCXSCJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.40
Rot. Bonds2

About 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole

5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2871289) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2871289
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)12-8-6-11(7-9-12)14-20-19-13(21-14)10-4-2-1-3-5-10/h1-9,14,20H
InChIKeyHQETUVZQDCXSCJ-UHFFFAOYSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole (CID 2871289) is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole is FC(F)(F)c1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is HQETUVZQDCXSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c16-15(17,18)12-8-6-11(7-9-12)14-20-19-13(21-14)10-4-2-1-3-5-10/h1-9,14,20H.
What are the key properties of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole?
5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 308.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2871289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).