5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole

C12H12BrNO3S — CID 91130372

IUPAC5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole
SMILESCOCCOc1cccc(Oc2ncc(Br)s2)c1
InChIInChI=1S/C12H12BrNO3S/c1-15-5-6-16-9-3-2-4-10(7-9)17-12-14-8-11(13)18-12/h2-4,7-8H,5-6H2,1H3
InChIKeyGVIOYSZSRMJGGY-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.72
Rot. Bonds6

About 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole

5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole (PubChem CID 91130372) has the molecular formula C12H12BrNO3S and a molecular weight of 330.20 g/mol. Its IUPAC name is 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole
PubChem CID91130372
Molecular FormulaC12H12BrNO3S
Molecular Weight330.20 g/mol
Exact Mass328.97
IUPAC Name5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole
SMILESCOCCOc1cccc(Oc2ncc(Br)s2)c1
InChIInChI=1S/C12H12BrNO3S/c1-15-5-6-16-9-3-2-4-10(7-9)17-12-14-8-11(13)18-12/h2-4,7-8H,5-6H2,1H3
InChIKeyGVIOYSZSRMJGGY-UHFFFAOYSA-N
XLogP3.72
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole (CID 91130372) is 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole is COCCOc1cccc(Oc2ncc(Br)s2)c1.
What is the InChIKey of 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole?
The InChIKey is GVIOYSZSRMJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S/c1-15-5-6-16-9-3-2-4-10(7-9)17-12-14-8-11(13)18-12/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole?
5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole has a molecular weight of 330.20 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(2-methoxyethoxy)phenoxy]-1,3-thiazole is sourced from PubChem (CID 91130372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).