3,4-diphenyl-1,3,4-thiadiazolidine

C14H14N2S — CID 71425825

IUPAC3,4-diphenyl-1,3,4-thiadiazolidine
SMILESc1ccc(N2CSCN2c2ccccc2)cc1
InChIInChI=1S/C14H14N2S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHIRJCYFZQLFOJP-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.58
Rot. Bonds2

About 3,4-diphenyl-1,3,4-thiadiazolidine

3,4-diphenyl-1,3,4-thiadiazolidine (PubChem CID 71425825) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3,4-diphenyl-1,3,4-thiadiazolidine.

Molecular Properties

Compound Name3,4-diphenyl-1,3,4-thiadiazolidine
PubChem CID71425825
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3,4-diphenyl-1,3,4-thiadiazolidine
SMILESc1ccc(N2CSCN2c2ccccc2)cc1
InChIInChI=1S/C14H14N2S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHIRJCYFZQLFOJP-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,3,4-thiadiazolidine?
The IUPAC name of 3,4-diphenyl-1,3,4-thiadiazolidine (CID 71425825) is 3,4-diphenyl-1,3,4-thiadiazolidine.
What is the SMILES notation for 3,4-diphenyl-1,3,4-thiadiazolidine?
The canonical SMILES for 3,4-diphenyl-1,3,4-thiadiazolidine is c1ccc(N2CSCN2c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,3,4-thiadiazolidine?
The InChIKey is HIRJCYFZQLFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3,4-diphenyl-1,3,4-thiadiazolidine?
3,4-diphenyl-1,3,4-thiadiazolidine has a molecular weight of 242.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,3,4-thiadiazolidine is sourced from PubChem (CID 71425825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).