4-bromo-2-(2-iodophenoxy)-1,3-thiazole

C9H5BrINOS — CID 79399841

IUPAC4-bromo-2-(2-iodophenoxy)-1,3-thiazole
SMILESBrc1csc(Oc2ccccc2I)n1
InChIInChI=1S/C9H5BrINOS/c10-8-5-14-9(12-8)13-7-4-2-1-3-6(7)11/h1-5H
InChIKeyHLQHVRWBNGZBIK-UHFFFAOYSA-N
MW382.02 g/mol
LogP4.30
Rot. Bonds2

About 4-bromo-2-(2-iodophenoxy)-1,3-thiazole

4-bromo-2-(2-iodophenoxy)-1,3-thiazole (PubChem CID 79399841) has the molecular formula C9H5BrINOS and a molecular weight of 382.02 g/mol. Its IUPAC name is 4-bromo-2-(2-iodophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-iodophenoxy)-1,3-thiazole
PubChem CID79399841
Molecular FormulaC9H5BrINOS
Molecular Weight382.02 g/mol
Exact Mass380.83
IUPAC Name4-bromo-2-(2-iodophenoxy)-1,3-thiazole
SMILESBrc1csc(Oc2ccccc2I)n1
InChIInChI=1S/C9H5BrINOS/c10-8-5-14-9(12-8)13-7-4-2-1-3-6(7)11/h1-5H
InChIKeyHLQHVRWBNGZBIK-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 54.30
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 4-bromo-2-(2-iodophenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-iodophenoxy)-1,3-thiazole (CID 79399841) is 4-bromo-2-(2-iodophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-iodophenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-iodophenoxy)-1,3-thiazole is Brc1csc(Oc2ccccc2I)n1.
What is the InChIKey of 4-bromo-2-(2-iodophenoxy)-1,3-thiazole?
The InChIKey is HLQHVRWBNGZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrINOS/c10-8-5-14-9(12-8)13-7-4-2-1-3-6(7)11/h1-5H.
What are the key properties of 4-bromo-2-(2-iodophenoxy)-1,3-thiazole?
4-bromo-2-(2-iodophenoxy)-1,3-thiazole has a molecular weight of 382.02 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-iodophenoxy)-1,3-thiazole is sourced from PubChem (CID 79399841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).