2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

C13H13BrN2O2S — CID 19202117

IUPAC2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C13H13BrN2O2S/c1-2-9-7-10(14)3-4-11(9)18-8-12(17)16-13-15-5-6-19-13/h3-7H,2,8H2,1H3,(H,15,16,17)
InChIKeyQENZBMDXMCELKW-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 19202117) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID19202117
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C13H13BrN2O2S/c1-2-9-7-10(14)3-4-11(9)18-8-12(17)16-13-15-5-6-19-13/h3-7H,2,8H2,1H3,(H,15,16,17)
InChIKeyQENZBMDXMCELKW-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202118
2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 17189496
2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 19201533
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
2-(4-bromo-2-ethylphenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19219783
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86876414
1-(4-bromo-2-ethylphenoxy)propan-2-one
CID 58963157

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 19202117) is 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1nccs1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QENZBMDXMCELKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-2-9-7-10(14)3-4-11(9)18-8-12(17)16-13-15-5-6-19-13/h3-7H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 341.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19202117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).