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

C22H23BrN2O3S — CID 19202853

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc(CC)cc3Br)n2)cc1
InChIInChI=1S/C22H23BrN2O3S/c1-3-11-27-17-8-6-16(7-9-17)19-14-29-22(24-19)25-21(26)13-28-20-10-5-15(4-2)12-18(20)23/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChIKeyFKQVUELSRKDWGW-UHFFFAOYSA-N
MW475.41 g/mol
LogP5.94
Rot. Bonds9

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

2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19202853) has the molecular formula C22H23BrN2O3S and a molecular weight of 475.41 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19202853
Molecular FormulaC22H23BrN2O3S
Molecular Weight475.41 g/mol
Exact Mass474.06
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc(CC)cc3Br)n2)cc1
InChIInChI=1S/C22H23BrN2O3S/c1-3-11-27-17-8-6-16(7-9-17)19-14-29-22(24-19)25-21(26)13-28-20-10-5-15(4-2)12-18(20)23/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChIKeyFKQVUELSRKDWGW-UHFFFAOYSA-N
XLogP5.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.41
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178686
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19202822
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178767
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 19202330
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203207
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19202853) is 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)COc3ccc(CC)cc3Br)n2)cc1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FKQVUELSRKDWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3S/c1-3-11-27-17-8-6-16(7-9-17)19-14-29-22(24-19)25-21(26)13-28-20-10-5-15(4-2)12-18(20)23/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 475.41 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19202853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).