3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole

C6H3IN2OS — CID 102618370

IUPAC3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ccoc2)ns1
InChIInChI=1S/C6H3IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h1-3H
InChIKeyVXACUEKMUPULRG-UHFFFAOYSA-N
MW278.07 g/mol
LogP2.40
Rot. Bonds1

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

3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618370) has the molecular formula C6H3IN2OS and a molecular weight of 278.07 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618370
Molecular FormulaC6H3IN2OS
Molecular Weight278.07 g/mol
Exact Mass277.90
IUPAC Name3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ccoc2)ns1
InChIInChI=1S/C6H3IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h1-3H
InChIKeyVXACUEKMUPULRG-UHFFFAOYSA-N
XLogP2.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 52.40
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 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole (CID 102618370) is 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole is Ic1nc(-c2ccoc2)ns1.
What is the InChIKey of 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is VXACUEKMUPULRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h1-3H.
What are the key properties of 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole?
3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 278.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).