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

C21H22N2O2S — CID 16591401

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(CC)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-3-15-9-11-16(12-10-15)22-20(24)13-17-14-26-21(23-17)18-7-5-6-8-19(18)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyOGHSFPWEWPQTIN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.95
Rot. Bonds7

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

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 16591401) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
PubChem CID16591401
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(CC)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-3-15-9-11-16(12-10-15)22-20(24)13-17-14-26-21(23-17)18-7-5-6-8-19(18)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyOGHSFPWEWPQTIN-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (CID 16591401) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(CC)cc2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is OGHSFPWEWPQTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-15-9-11-16(12-10-15)22-20(24)13-17-14-26-21(23-17)18-7-5-6-8-19(18)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 16591401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).