5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole

C11H10BrNO2S — CID 118344282

IUPAC5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole
SMILESCCOc1ccc(Oc2ncc(Br)s2)cc1
InChIInChI=1S/C11H10BrNO2S/c1-2-14-8-3-5-9(6-4-8)15-11-13-7-10(12)16-11/h3-7H,2H2,1H3
InChIKeyQOILGHXBPTWOHP-UHFFFAOYSA-N
MW300.18 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole

5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole (PubChem CID 118344282) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole
PubChem CID118344282
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole
SMILESCCOc1ccc(Oc2ncc(Br)s2)cc1
InChIInChI=1S/C11H10BrNO2S/c1-2-14-8-3-5-9(6-4-8)15-11-13-7-10(12)16-11/h3-7H,2H2,1H3
InChIKeyQOILGHXBPTWOHP-UHFFFAOYSA-N
XLogP4.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole (CID 118344282) is 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole is CCOc1ccc(Oc2ncc(Br)s2)cc1.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole?
The InChIKey is QOILGHXBPTWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-2-14-8-3-5-9(6-4-8)15-11-13-7-10(12)16-11/h3-7H,2H2,1H3.
What are the key properties of 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole?
5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole has a molecular weight of 300.18 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 118344282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).