2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

C21H20BrClN2O2S — CID 19203207

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3Br)n2)cc1
InChIInChI=1S/C21H20BrClN2O2S/c1-4-14-5-7-15(8-6-14)16-11-28-21(24-16)25-18(26)10-27-17-9-12(2)20(23)13(3)19(17)22/h5-9,11H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyCSBRGNKJIBIHBF-UHFFFAOYSA-N
MW479.83 g/mol
LogP6.42
Rot. Bonds6

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19203207) has the molecular formula C21H20BrClN2O2S and a molecular weight of 479.83 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19203207
Molecular FormulaC21H20BrClN2O2S
Molecular Weight479.83 g/mol
Exact Mass478.01
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3Br)n2)cc1
InChIInChI=1S/C21H20BrClN2O2S/c1-4-14-5-7-15(8-6-14)16-11-28-21(24-16)25-18(26)10-27-17-9-12(2)20(23)13(3)19(17)22/h5-9,11H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyCSBRGNKJIBIHBF-UHFFFAOYSA-N
XLogP6.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.83
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19206013
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202853
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 19203207) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3Br)n2)cc1.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CSBRGNKJIBIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN2O2S/c1-4-14-5-7-15(8-6-14)16-11-28-21(24-16)25-18(26)10-27-17-9-12(2)20(23)13(3)19(17)22/h5-9,11H,4,10H2,1-3H3,(H,24,25,26).
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 479.83 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19203207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).