3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole

C14H9ClN2S — CID 11086920

IUPAC3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H
InChIKeyYXIWFPHOICOEIJ-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.53
Rot. Bonds2

About 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole

3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole (PubChem CID 11086920) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole
PubChem CID11086920
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H
InChIKeyYXIWFPHOICOEIJ-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole?
The IUPAC name of 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole (CID 11086920) is 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole is Clc1ccc(-c2nsnc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole?
The InChIKey is YXIWFPHOICOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole?
3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole has a molecular weight of 272.76 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-phenyl-1,2,5-thiadiazole is sourced from PubChem (CID 11086920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).