N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide

C21H21BrN2O2S — CID 19227971

IUPACN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCCc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN2O2S/c1-4-18-20(15-8-10-16(22)11-9-15)24-21(27-18)23-19(25)12-26-17-7-5-6-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H,23,24,25)
InChIKeyYGQIAISYPYDECL-UHFFFAOYSA-N
MW445.38 g/mol
LogP5.77
Rot. Bonds6

About N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 19227971) has the molecular formula C21H21BrN2O2S and a molecular weight of 445.38 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID19227971
Molecular FormulaC21H21BrN2O2S
Molecular Weight445.38 g/mol
Exact Mass444.05
IUPAC NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCCc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN2O2S/c1-4-18-20(15-8-10-16(22)11-9-15)24-21(27-18)23-19(25)12-26-17-7-5-6-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H,23,24,25)
InChIKeyYGQIAISYPYDECL-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-ethyl-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 19227728
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
CID 19227755
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 46299919
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19228023
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]butanamide
CID 19229060
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 19227971) is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide is CCc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is YGQIAISYPYDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2S/c1-4-18-20(15-8-10-16(22)11-9-15)24-21(27-18)23-19(25)12-26-17-7-5-6-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)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 N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 19227971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).