2-(2,6-dibromophenoxy)-1,3-thiazole

C9H5Br2NOS — CID 91068222

IUPAC2-(2,6-dibromophenoxy)-1,3-thiazole
SMILESBrc1cccc(Br)c1Oc1nccs1
InChIInChI=1S/C9H5Br2NOS/c10-6-2-1-3-7(11)8(6)13-9-12-4-5-14-9/h1-5H
InChIKeySFXGZGVKHBMDOL-UHFFFAOYSA-N
MW335.02 g/mol
LogP4.46
Rot. Bonds2

About 2-(2,6-dibromophenoxy)-1,3-thiazole

2-(2,6-dibromophenoxy)-1,3-thiazole (PubChem CID 91068222) has the molecular formula C9H5Br2NOS and a molecular weight of 335.02 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-1,3-thiazole
PubChem CID91068222
Molecular FormulaC9H5Br2NOS
Molecular Weight335.02 g/mol
Exact Mass332.85
IUPAC Name2-(2,6-dibromophenoxy)-1,3-thiazole
SMILESBrc1cccc(Br)c1Oc1nccs1
InChIInChI=1S/C9H5Br2NOS/c10-6-2-1-3-7(11)8(6)13-9-12-4-5-14-9/h1-5H
InChIKeySFXGZGVKHBMDOL-UHFFFAOYSA-N
XLogP4.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.02
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-1,3-thiazole?
The IUPAC name of 2-(2,6-dibromophenoxy)-1,3-thiazole (CID 91068222) is 2-(2,6-dibromophenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-1,3-thiazole?
The canonical SMILES for 2-(2,6-dibromophenoxy)-1,3-thiazole is Brc1cccc(Br)c1Oc1nccs1.
What is the InChIKey of 2-(2,6-dibromophenoxy)-1,3-thiazole?
The InChIKey is SFXGZGVKHBMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NOS/c10-6-2-1-3-7(11)8(6)13-9-12-4-5-14-9/h1-5H.
What are the key properties of 2-(2,6-dibromophenoxy)-1,3-thiazole?
2-(2,6-dibromophenoxy)-1,3-thiazole has a molecular weight of 335.02 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-1,3-thiazole is sourced from PubChem (CID 91068222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).