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

C8H3Br2IN2S — CID 107948670

IUPAC5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
SMILESBrc1ccc(-c2nc(I)ns2)c(Br)c1
InChIInChI=1S/C8H3Br2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeySQFSYQNZXDKIPB-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.33
Rot. Bonds1

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

5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 107948670) has the molecular formula C8H3Br2IN2S and a molecular weight of 445.91 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID107948670
Molecular FormulaC8H3Br2IN2S
Molecular Weight445.91 g/mol
Exact Mass443.74
IUPAC Name5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
SMILESBrc1ccc(-c2nc(I)ns2)c(Br)c1
InChIInChI=1S/C8H3Br2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeySQFSYQNZXDKIPB-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.33
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

5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943601
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943745
5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943754
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 107942038
5-bromo-2-(5-iodo-1,3,4-thiadiazol-2-yl)phenol
CID 135978598
5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole
CID 131115490

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole (CID 107948670) is 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole is Brc1ccc(-c2nc(I)ns2)c(Br)c1.
What is the InChIKey of 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is SQFSYQNZXDKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2IN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole?
5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 445.91 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 107948670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).