3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole

C8H3ClFIN2S — CID 102618590

IUPAC3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)cc1Cl
InChIInChI=1S/C8H3ClFIN2S/c9-5-3-4(1-2-6(5)10)7-12-8(11)14-13-7/h1-3H
InChIKeyFKOUQAJWBMUPBE-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.60
Rot. Bonds1

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

3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618590) has the molecular formula C8H3ClFIN2S and a molecular weight of 340.55 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618590
Molecular FormulaC8H3ClFIN2S
Molecular Weight340.55 g/mol
Exact Mass339.87
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)cc1Cl
InChIInChI=1S/C8H3ClFIN2S/c9-5-3-4(1-2-6(5)10)7-12-8(11)14-13-7/h1-3H
InChIKeyFKOUQAJWBMUPBE-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.60
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)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618370
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
CID 63093485
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (CID 102618590) is 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is Fc1ccc(-c2nsc(I)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is FKOUQAJWBMUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFIN2S/c9-5-3-4(1-2-6(5)10)7-12-8(11)14-13-7/h1-3H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 340.55 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).