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

C14H9ClN2S — CID 86217654

IUPAC5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyFFJNKZMIFJQLEG-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.53
Rot. Bonds2

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

5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole (PubChem CID 86217654) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
PubChem CID86217654
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyFFJNKZMIFJQLEG-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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Related Compounds

3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
CID 12846883
3-[4-(bromomethyl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 18731899
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline
CID 135398461
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
ethane;2-fluoro-5-[3-(5-phenyl-1,2,4-thiadiazol-3-yl)phenyl]benzoic acid
CID 144977351
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
5-(3,5-dichlorophenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2725978
1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanol
CID 70981763

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole (CID 86217654) is 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole is Clc1ccc(-c2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole?
The InChIKey is FFJNKZMIFJQLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole?
5-(4-chlorophenyl)-3-phenyl-1,2,4-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 5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 86217654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).