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

C21H22N2O2S — CID 43951157

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)Cc3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-15-5-7-16(8-6-15)13-20(24)23-21-22-19(14-26-21)17-9-11-18(12-10-17)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)
InChIKeyUMQXSTMETYKASS-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.95
Rot. Bonds7

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

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide (PubChem CID 43951157) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
PubChem CID43951157
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)Cc3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-15-5-7-16(8-6-15)13-20(24)23-21-22-19(14-26-21)17-9-11-18(12-10-17)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)
InChIKeyUMQXSTMETYKASS-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 N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide (CID 43951157) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide is CCOc1ccc(-c2csc(NC(=O)Cc3ccc(CC)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide?
The InChIKey is UMQXSTMETYKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-15-5-7-16(8-6-15)13-20(24)23-21-22-19(14-26-21)17-9-11-18(12-10-17)25-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(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 N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 43951157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).