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

C8H8N2S — CID 91370268

IUPAC5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNCS2)cc1
InChIInChI=1S/C8H8N2S/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,9H,6H2
InChIKeyYNRRANJYPJAVMO-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.64
Rot. Bonds1

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

5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 91370268) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID91370268
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNCS2)cc1
InChIInChI=1S/C8H8N2S/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,9H,6H2
InChIKeyYNRRANJYPJAVMO-UHFFFAOYSA-N
XLogP1.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 91370268) is 5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-phenyl-2,3-dihydro-1,3,4-thiadiazole is c1ccc(C2=NNCS2)cc1.
What is the InChIKey of 5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is YNRRANJYPJAVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,9H,6H2.
What are the key properties of 5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 164.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 91370268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).