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

C6H6FIN2S — CID 131198196

IUPAC5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
SMILESCC1(c2nc(I)ns2)CC1F
InChIInChI=1S/C6H6FIN2S/c1-6(2-3(6)7)4-9-5(8)10-11-4/h3H,2H2,1H3
InChIKeyVEJRKVZOGPHEFC-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.14
Rot. Bonds1

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

5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 131198196) has the molecular formula C6H6FIN2S and a molecular weight of 284.10 g/mol. Its IUPAC name is 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
PubChem CID131198196
Molecular FormulaC6H6FIN2S
Molecular Weight284.10 g/mol
Exact Mass283.93
IUPAC Name5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
SMILESCC1(c2nc(I)ns2)CC1F
InChIInChI=1S/C6H6FIN2S/c1-6(2-3(6)7)4-9-5(8)10-11-4/h3H,2H2,1H3
InChIKeyVEJRKVZOGPHEFC-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole (CID 131198196) is 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole is CC1(c2nc(I)ns2)CC1F.
What is the InChIKey of 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is VEJRKVZOGPHEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2S/c1-6(2-3(6)7)4-9-5(8)10-11-4/h3H,2H2,1H3.
What are the key properties of 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole?
5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 284.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 131198196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).