5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

C9H4ClF3N2OS — CID 71187320

IUPAC5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nsc(Cl)n2)cc1
InChIInChI=1S/C9H4ClF3N2OS/c10-8-14-7(15-17-8)5-1-3-6(4-2-5)16-9(11,12)13/h1-4H
InChIKeyNYXVEPOVGSPHPB-UHFFFAOYSA-N
MW280.66 g/mol
LogP3.76
Rot. Bonds2

About 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (PubChem CID 71187320) has the molecular formula C9H4ClF3N2OS and a molecular weight of 280.66 g/mol. Its IUPAC name is 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
PubChem CID71187320
Molecular FormulaC9H4ClF3N2OS
Molecular Weight280.66 g/mol
Exact Mass279.97
IUPAC Name5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nsc(Cl)n2)cc1
InChIInChI=1S/C9H4ClF3N2OS/c10-8-14-7(15-17-8)5-1-3-6(4-2-5)16-9(11,12)13/h1-4H
InChIKeyNYXVEPOVGSPHPB-UHFFFAOYSA-N
XLogP3.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 10014953
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
5-(4-Methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2810751
5-Phenoxy-3-phenyl-1,2,4-thiadiazole
CID 86254361
2-(4-Methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 3770619
[3-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-5-yl]methanol
CID 16756658
5-Bromomethyl-3-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756659
[5-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-3-yl]methanol
CID 16756775
3-Bromomethyl-5-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756776
3-(4-Trifluoromethoxyphenyl)-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
CID 16756983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (CID 71187320) is 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is FC(F)(F)Oc1ccc(-c2nsc(Cl)n2)cc1.
What is the InChIKey of 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The InChIKey is NYXVEPOVGSPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2OS/c10-8-14-7(15-17-8)5-1-3-6(4-2-5)16-9(11,12)13/h1-4H.
What are the key properties of 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole has a molecular weight of 280.66 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 71187320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).