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

C21H20BrClN2O3S — CID 19203196

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)n1
InChIInChI=1S/C21H20BrClN2O3S/c1-4-27-16-8-6-5-7-14(16)15-11-29-21(24-15)25-18(26)10-28-17-9-12(2)20(23)13(3)19(17)22/h5-9,11H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyWWKVWLWTNLVLBS-UHFFFAOYSA-N
MW495.83 g/mol
LogP6.26
Rot. Bonds7

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

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19203196) has the molecular formula C21H20BrClN2O3S and a molecular weight of 495.83 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19203196
Molecular FormulaC21H20BrClN2O3S
Molecular Weight495.83 g/mol
Exact Mass494.01
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)n1
InChIInChI=1S/C21H20BrClN2O3S/c1-4-27-16-8-6-5-7-14(16)15-11-29-21(24-15)25-18(26)10-28-17-9-12(2)20(23)13(3)19(17)22/h5-9,11H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyWWKVWLWTNLVLBS-UHFFFAOYSA-N
XLogP6.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.83
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203207
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19206013
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(2-propoxyphenoxy)acetamide
CID 16564275

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19203196) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1-c1csc(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)n1.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WWKVWLWTNLVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN2O3S/c1-4-27-16-8-6-5-7-14(16)15-11-29-21(24-15)25-18(26)10-28-17-9-12(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-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 495.83 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).