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

C26H23BrN2O3S — CID 19178686

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)n2)cc1
InChIInChI=1S/C26H23BrN2O3S/c1-2-14-31-21-11-8-19(9-12-21)23-17-33-26(28-23)29-25(30)16-32-24-13-10-20(15-22(24)27)18-6-4-3-5-7-18/h3-13,15,17H,2,14,16H2,1H3,(H,28,29,30)
InChIKeyDDNJKUPCKVYJLS-UHFFFAOYSA-N
MW523.45 g/mol
LogP7.05
Rot. Bonds9

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

2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19178686) has the molecular formula C26H23BrN2O3S and a molecular weight of 523.45 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19178686
Molecular FormulaC26H23BrN2O3S
Molecular Weight523.45 g/mol
Exact Mass522.06
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)n2)cc1
InChIInChI=1S/C26H23BrN2O3S/c1-2-14-31-21-11-8-19(9-12-21)23-17-33-26(28-23)29-25(30)16-32-24-13-10-20(15-22(24)27)18-6-4-3-5-7-18/h3-13,15,17H,2,14,16H2,1H3,(H,28,29,30)
InChIKeyDDNJKUPCKVYJLS-UHFFFAOYSA-N
XLogP7.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.45
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202853
2-(2-bromo-4-phenylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213758
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
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
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178767
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19178686) is 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)n2)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DDNJKUPCKVYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O3S/c1-2-14-31-21-11-8-19(9-12-21)23-17-33-26(28-23)29-25(30)16-32-24-13-10-20(15-22(24)27)18-6-4-3-5-7-18/h3-13,15,17H,2,14,16H2,1H3,(H,28,29,30).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 523.45 g/mol, XLogP of 7.05, 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-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19178686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).