N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C21H21N3O3S — CID 46584283

IUPACN-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-19-9-7-15(8-10-19)21-24-18(13-28-21)12-20(26)23-17-6-4-5-16(11-17)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIPCNCYYZYQDHFJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.35
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46584283) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46584283
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-19-9-7-15(8-10-19)21-24-18(13-28-21)12-20(26)23-17-6-4-5-16(11-17)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIPCNCYYZYQDHFJ-UHFFFAOYSA-N
XLogP4.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
CID 60557191
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46584283) is N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IPCNCYYZYQDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-19-9-7-15(8-10-19)21-24-18(13-28-21)12-20(26)23-17-6-4-5-16(11-17)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46584283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).