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

C9H5ClINOS — CID 83153220

IUPAC4-chloro-2-(2-iodophenoxy)-1,3-thiazole
SMILESClc1csc(Oc2ccccc2I)n1
InChIInChI=1S/C9H5ClINOS/c10-8-5-14-9(12-8)13-7-4-2-1-3-6(7)11/h1-5H
InChIKeyLHXZYSGREFEWQQ-UHFFFAOYSA-N
MW337.57 g/mol
LogP4.19
Rot. Bonds2

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

4-chloro-2-(2-iodophenoxy)-1,3-thiazole (PubChem CID 83153220) has the molecular formula C9H5ClINOS and a molecular weight of 337.57 g/mol. Its IUPAC name is 4-chloro-2-(2-iodophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-iodophenoxy)-1,3-thiazole
PubChem CID83153220
Molecular FormulaC9H5ClINOS
Molecular Weight337.57 g/mol
Exact Mass336.88
IUPAC Name4-chloro-2-(2-iodophenoxy)-1,3-thiazole
SMILESClc1csc(Oc2ccccc2I)n1
InChIInChI=1S/C9H5ClINOS/c10-8-5-14-9(12-8)13-7-4-2-1-3-6(7)11/h1-5H
InChIKeyLHXZYSGREFEWQQ-UHFFFAOYSA-N
XLogP4.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 54.19
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-chloro-2-(2-iodophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-iodophenoxy)-1,3-thiazole (CID 83153220) is 4-chloro-2-(2-iodophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-iodophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-iodophenoxy)-1,3-thiazole is Clc1csc(Oc2ccccc2I)n1.
What is the InChIKey of 4-chloro-2-(2-iodophenoxy)-1,3-thiazole?
The InChIKey is LHXZYSGREFEWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINOS/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-chloro-2-(2-iodophenoxy)-1,3-thiazole?
4-chloro-2-(2-iodophenoxy)-1,3-thiazole has a molecular weight of 337.57 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-iodophenoxy)-1,3-thiazole is sourced from PubChem (CID 83153220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).