5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole

C8H3F2IN2S — CID 102943629

IUPAC5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(I)ns2)c(F)c1
InChIInChI=1S/C8H3F2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyWWJBCGBPWKDTKA-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.09
Rot. Bonds1

About 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole

5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943629) has the molecular formula C8H3F2IN2S and a molecular weight of 324.09 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943629
Molecular FormulaC8H3F2IN2S
Molecular Weight324.09 g/mol
Exact Mass323.90
IUPAC Name5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(I)ns2)c(F)c1
InChIInChI=1S/C8H3F2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyWWJBCGBPWKDTKA-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943745
5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272
5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
CID 107948670
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943601
3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole
CID 68977639
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
CID 102885475
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
CID 102943436

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole (CID 102943629) is 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole is Fc1ccc(-c2nc(I)ns2)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is WWJBCGBPWKDTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole?
5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 324.09 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).