5-bromo-2-(3-chlorophenoxy)-1,3-thiazole

C9H5BrClNOS — CID 117190368

IUPAC5-bromo-2-(3-chlorophenoxy)-1,3-thiazole
SMILESClc1cccc(Oc2ncc(Br)s2)c1
InChIInChI=1S/C9H5BrClNOS/c10-8-5-12-9(14-8)13-7-3-1-2-6(11)4-7/h1-5H
InChIKeyXWFZIIANLBZRJX-UHFFFAOYSA-N
MW290.57 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole

5-bromo-2-(3-chlorophenoxy)-1,3-thiazole (PubChem CID 117190368) has the molecular formula C9H5BrClNOS and a molecular weight of 290.57 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenoxy)-1,3-thiazole
PubChem CID117190368
Molecular FormulaC9H5BrClNOS
Molecular Weight290.57 g/mol
Exact Mass288.90
IUPAC Name5-bromo-2-(3-chlorophenoxy)-1,3-thiazole
SMILESClc1cccc(Oc2ncc(Br)s2)c1
InChIInChI=1S/C9H5BrClNOS/c10-8-5-12-9(14-8)13-7-3-1-2-6(11)4-7/h1-5H
InChIKeyXWFZIIANLBZRJX-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole (CID 117190368) is 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole is Clc1cccc(Oc2ncc(Br)s2)c1.
What is the InChIKey of 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole?
The InChIKey is XWFZIIANLBZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNOS/c10-8-5-12-9(14-8)13-7-3-1-2-6(11)4-7/h1-5H.
What are the key properties of 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole?
5-bromo-2-(3-chlorophenoxy)-1,3-thiazole has a molecular weight of 290.57 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenoxy)-1,3-thiazole is sourced from PubChem (CID 117190368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).