3,4-diphenyl-1,2,5-thiadiazole

C14H10N2S — CID 585569

IUPAC3,4-diphenyl-1,2,5-thiadiazole
SMILESc1ccc(-c2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyKHQSDNWSSKXRSS-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.87
Rot. Bonds2

About 3,4-diphenyl-1,2,5-thiadiazole

3,4-diphenyl-1,2,5-thiadiazole (PubChem CID 585569) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 3,4-diphenyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3,4-diphenyl-1,2,5-thiadiazole
PubChem CID585569
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name3,4-diphenyl-1,2,5-thiadiazole
SMILESc1ccc(-c2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyKHQSDNWSSKXRSS-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,2,5-thiadiazole?
The IUPAC name of 3,4-diphenyl-1,2,5-thiadiazole (CID 585569) is 3,4-diphenyl-1,2,5-thiadiazole.
What is the SMILES notation for 3,4-diphenyl-1,2,5-thiadiazole?
The canonical SMILES for 3,4-diphenyl-1,2,5-thiadiazole is c1ccc(-c2nsnc2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,2,5-thiadiazole?
The InChIKey is KHQSDNWSSKXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,4-diphenyl-1,2,5-thiadiazole?
3,4-diphenyl-1,2,5-thiadiazole has a molecular weight of 238.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,2,5-thiadiazole is sourced from PubChem (CID 585569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).