5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole

C15H14N2S — CID 2861099

IUPAC5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(CC2=NNC(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10,15,17H,11H2
InChIKeyQXXRXVPASDTWJT-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.58
Rot. Bonds3

About 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole

5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2861099) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2861099
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(CC2=NNC(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10,15,17H,11H2
InChIKeyQXXRXVPASDTWJT-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 2861099) is 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is c1ccc(CC2=NNC(c3ccccc3)S2)cc1.
What is the InChIKey of 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is QXXRXVPASDTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10,15,17H,11H2.
What are the key properties of 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 254.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2861099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).