2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C21H21BrN2O2S — CID 19202264

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(Br)c1
InChIInChI=1S/C21H21BrN2O2S/c1-4-15-7-10-18(17(22)11-15)26-12-19(25)23-21-24-20(14(3)27-21)16-8-5-13(2)6-9-16/h5-11H,4,12H2,1-3H3,(H,23,24,25)
InChIKeyPDUJJVLQUVPLCY-UHFFFAOYSA-N
MW445.38 g/mol
LogP5.77
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19202264) has the molecular formula C21H21BrN2O2S and a molecular weight of 445.38 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19202264
Molecular FormulaC21H21BrN2O2S
Molecular Weight445.38 g/mol
Exact Mass444.05
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(Br)c1
InChIInChI=1S/C21H21BrN2O2S/c1-4-15-7-10-18(17(22)11-15)26-12-19(25)23-21-24-20(14(3)27-21)16-8-5-13(2)6-9-16/h5-11H,4,12H2,1-3H3,(H,23,24,25)
InChIKeyPDUJJVLQUVPLCY-UHFFFAOYSA-N
XLogP5.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.38
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19203129
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
4-(2-bromo-4-ethylphenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19203233
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
4-(2-bromo-4-methylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19228725

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 19202264) is 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PDUJJVLQUVPLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2S/c1-4-15-7-10-18(17(22)11-15)26-12-19(25)23-21-24-20(14(3)27-21)16-8-5-13(2)6-9-16/h5-11H,4,12H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 445.38 g/mol, XLogP of 5.77, 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-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).