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

C8H4I2N2S — CID 63383354

IUPAC2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole
SMILESIc1ccc(-c2nnc(I)s2)cc1
InChIInChI=1S/C8H4I2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H
InChIKeyJESJRDKGOUUUFV-UHFFFAOYSA-N
MW414.01 g/mol
LogP3.41
Rot. Bonds1

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

2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole (PubChem CID 63383354) has the molecular formula C8H4I2N2S and a molecular weight of 414.01 g/mol. Its IUPAC name is 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole
PubChem CID63383354
Molecular FormulaC8H4I2N2S
Molecular Weight414.01 g/mol
Exact Mass413.82
IUPAC Name2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole
SMILESIc1ccc(-c2nnc(I)s2)cc1
InChIInChI=1S/C8H4I2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H
InChIKeyJESJRDKGOUUUFV-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.01
LogP ≤ 53.41
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 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole (CID 63383354) is 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole is Ic1ccc(-c2nnc(I)s2)cc1.
What is the InChIKey of 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole?
The InChIKey is JESJRDKGOUUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H.
What are the key properties of 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole?
2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole has a molecular weight of 414.01 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63383354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).