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

C8H3F2IN2S — CID 102618587

IUPAC3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1cc(F)cc(-c2nsc(I)n2)c1
InChIInChI=1S/C8H3F2IN2S/c9-5-1-4(2-6(10)3-5)7-12-8(11)14-13-7/h1-3H
InChIKeyRKESEZLEEBQUTL-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.09
Rot. Bonds1

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

3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618587) has the molecular formula C8H3F2IN2S and a molecular weight of 324.09 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618587
Molecular FormulaC8H3F2IN2S
Molecular Weight324.09 g/mol
Exact Mass323.90
IUPAC Name3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1cc(F)cc(-c2nsc(I)n2)c1
InChIInChI=1S/C8H3F2IN2S/c9-5-1-4(2-6(10)3-5)7-12-8(11)14-13-7/h1-3H
InChIKeyRKESEZLEEBQUTL-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

3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618423
3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618590
N-tert-butyl-3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65268612
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997
5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102618259
3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618370
3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 166239120
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
3-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 154877837
3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62470899
4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
CID 45139288
7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one
CID 166239132

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole (CID 102618587) is 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole is Fc1cc(F)cc(-c2nsc(I)n2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is RKESEZLEEBQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IN2S/c9-5-1-4(2-6(10)3-5)7-12-8(11)14-13-7/h1-3H.
What are the key properties of 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole?
3-(3,5-difluorophenyl)-5-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 3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).