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

C8H4FIN2S — CID 102618423

IUPAC3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)cc1
InChIInChI=1S/C8H4FIN2S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H
InChIKeyISEIWZKMUIQYNF-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.95
Rot. Bonds1

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

3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618423) has the molecular formula C8H4FIN2S and a molecular weight of 306.10 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618423
Molecular FormulaC8H4FIN2S
Molecular Weight306.10 g/mol
Exact Mass305.91
IUPAC Name3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)cc1
InChIInChI=1S/C8H4FIN2S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H
InChIKeyISEIWZKMUIQYNF-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.95
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-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618587
3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618590
5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
CID 22611069
3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole
CID 162444169
3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618370
2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 58752529
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile
CID 133060902
[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine
CID 133058155
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (CID 102618423) is 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is Fc1ccc(-c2nsc(I)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is ISEIWZKMUIQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H.
What are the key properties of 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 306.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).