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

C19H16BrClN2O2S — CID 19227755

IUPACN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
SMILESCCc1sc(NC(=O)COc2cccc(Cl)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2O2S/c1-2-16-18(12-6-8-13(20)9-7-12)23-19(26-16)22-17(24)11-25-15-5-3-4-14(21)10-15/h3-10H,2,11H2,1H3,(H,22,23,24)
InChIKeyAIHNNKCKNJNMPY-UHFFFAOYSA-N
MW451.77 g/mol
LogP5.81
Rot. Bonds6

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

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide (PubChem CID 19227755) has the molecular formula C19H16BrClN2O2S and a molecular weight of 451.77 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
PubChem CID19227755
Molecular FormulaC19H16BrClN2O2S
Molecular Weight451.77 g/mol
Exact Mass449.98
IUPAC NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
SMILESCCc1sc(NC(=O)COc2cccc(Cl)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2O2S/c1-2-16-18(12-6-8-13(20)9-7-12)23-19(26-16)22-17(24)11-25-15-5-3-4-14(21)10-15/h3-10H,2,11H2,1H3,(H,22,23,24)
InChIKeyAIHNNKCKNJNMPY-UHFFFAOYSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.77
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-4-propan-2-ylphenoxy)acetamide
CID 19228023
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 19227971
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229213
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide (CID 19227755) is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide is CCc1sc(NC(=O)COc2cccc(Cl)c2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is AIHNNKCKNJNMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2S/c1-2-16-18(12-6-8-13(20)9-7-12)23-19(26-16)22-17(24)11-25-15-5-3-4-14(21)10-15/h3-10H,2,11H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide?
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 451.77 g/mol, XLogP of 5.81, 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-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 19227755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).