2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C23H21N3O2S2 — CID 52586012

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccc4OC)cs3)cs2)cc1
InChIInChI=1S/C23H21N3O2S2/c1-3-15-8-10-16(11-9-15)22-24-17(13-29-22)12-21(27)26-23-25-19(14-30-23)18-6-4-5-7-20(18)28-2/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,27)
InChIKeyHFAUBYLWNMCMPX-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.69
Rot. Bonds7

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 52586012) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID52586012
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccc4OC)cs3)cs2)cc1
InChIInChI=1S/C23H21N3O2S2/c1-3-15-8-10-16(11-9-15)22-24-17(13-29-22)12-21(27)26-23-25-19(14-30-23)18-6-4-5-7-20(18)28-2/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,27)
InChIKeyHFAUBYLWNMCMPX-UHFFFAOYSA-N
XLogP5.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]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-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505903
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24556479
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16600867
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16557212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 52586012) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccc4OC)cs3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HFAUBYLWNMCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-3-15-8-10-16(11-9-15)22-24-17(13-29-22)12-21(27)26-23-25-19(14-30-23)18-6-4-5-7-20(18)28-2/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.57 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 52586012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).