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

C23H22N4O2S — CID 60557191

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nccn4C)c3)cs2)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-29-20-9-7-16(8-10-20)23-26-19(15-30-23)14-21(28)25-18-6-4-5-17(13-18)22-24-11-12-27(22)2/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyPPYAQBSMARKUCD-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.79
Rot. Bonds7

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

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide (PubChem CID 60557191) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
PubChem CID60557191
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nccn4C)c3)cs2)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-29-20-9-7-16(8-10-20)23-26-19(15-30-23)14-21(28)25-18-6-4-5-17(13-18)22-24-11-12-27(22)2/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyPPYAQBSMARKUCD-UHFFFAOYSA-N
XLogP4.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
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
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-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46402400
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-(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-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55783007
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide (CID 60557191) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nccn4C)c3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide?
The InChIKey is PPYAQBSMARKUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-29-20-9-7-16(8-10-20)23-26-19(15-30-23)14-21(28)25-18-6-4-5-17(13-18)22-24-11-12-27(22)2/h4-13,15H,3,14H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 60557191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).