2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C24H27BrN2O3S — CID 19228768

IUPAC2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)sc2C)cc1
InChIInChI=1S/C24H27BrN2O3S/c1-6-29-18-9-7-17(8-10-18)23-16(5)31-24(27-23)26-22(28)13-30-21-11-15(4)20(25)12-19(21)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27,28)
InChIKeyYFYYQMVGSSIEEY-UHFFFAOYSA-N
MW503.46 g/mol
LogP6.73
Rot. Bonds8

About 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 19228768) has the molecular formula C24H27BrN2O3S and a molecular weight of 503.46 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID19228768
Molecular FormulaC24H27BrN2O3S
Molecular Weight503.46 g/mol
Exact Mass502.09
IUPAC Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)sc2C)cc1
InChIInChI=1S/C24H27BrN2O3S/c1-6-29-18-9-7-17(8-10-18)23-16(5)31-24(27-23)26-22(28)13-30-21-11-15(4)20(25)12-19(21)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27,28)
InChIKeyYFYYQMVGSSIEEY-UHFFFAOYSA-N
XLogP6.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.46
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19228036
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19196465
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19178430
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 19228768) is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is CCOc1ccc(-c2nc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)sc2C)cc1.
What is the InChIKey of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is YFYYQMVGSSIEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O3S/c1-6-29-18-9-7-17(8-10-18)23-16(5)31-24(27-23)26-22(28)13-30-21-11-15(4)20(25)12-19(21)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27,28).
What are the key properties of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 503.46 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19228768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).