5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole

C9H6FIN2OS — CID 102943827

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCOc1cc(-c2nc(I)ns2)ccc1F
InChIInChI=1S/C9H6FIN2OS/c1-14-7-4-5(2-3-6(7)10)8-12-9(11)13-15-8/h2-4H,1H3
InChIKeyQZMKJPNISFDFDO-UHFFFAOYSA-N
MW336.13 g/mol
LogP2.96
Rot. Bonds2

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

5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943827) has the molecular formula C9H6FIN2OS and a molecular weight of 336.13 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943827
Molecular FormulaC9H6FIN2OS
Molecular Weight336.13 g/mol
Exact Mass335.92
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCOc1cc(-c2nc(I)ns2)ccc1F
InChIInChI=1S/C9H6FIN2OS/c1-14-7-4-5(2-3-6(7)10)8-12-9(11)13-15-8/h2-4H,1H3
InChIKeyQZMKJPNISFDFDO-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole (CID 102943827) is 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole is COc1cc(-c2nc(I)ns2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is QZMKJPNISFDFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2OS/c1-14-7-4-5(2-3-6(7)10)8-12-9(11)13-15-8/h2-4H,1H3.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole?
5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 336.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).