2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H19BrN2O3S — CID 19173197

IUPAC2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)COc3ccc(Br)c(C)c3)n2)cc1
InChIInChI=1S/C20H19BrN2O3S/c1-3-25-15-6-4-14(5-7-15)18-12-27-20(22-18)23-19(24)11-26-16-8-9-17(21)13(2)10-16/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyDASLTUWGBDIAJF-UHFFFAOYSA-N
MW447.35 g/mol
LogP5.30
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19173197) has the molecular formula C20H19BrN2O3S and a molecular weight of 447.35 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19173197
Molecular FormulaC20H19BrN2O3S
Molecular Weight447.35 g/mol
Exact Mass446.03
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)COc3ccc(Br)c(C)c3)n2)cc1
InChIInChI=1S/C20H19BrN2O3S/c1-3-25-15-6-4-14(5-7-15)18-12-27-20(22-18)23-19(24)11-26-16-8-9-17(21)13(2)10-16/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyDASLTUWGBDIAJF-UHFFFAOYSA-N
XLogP5.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19175491
2-(4-bromo-3-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227902
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19196934
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7921909
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19173197) is 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(-c2csc(NC(=O)COc3ccc(Br)c(C)c3)n2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DASLTUWGBDIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3S/c1-3-25-15-6-4-14(5-7-15)18-12-27-20(22-18)23-19(24)11-26-16-8-9-17(21)13(2)10-16/h4-10,12H,3,11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 447.35 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19173197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).