N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

C22H24N2O3S — CID 19196964

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)COc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C22H24N2O3S/c1-5-26-19-9-7-6-8-17(19)18-13-28-22(23-18)24-20(25)12-27-21-15(3)11-10-14(2)16(21)4/h6-11,13H,5,12H2,1-4H3,(H,23,24,25)
InChIKeyQDMITDSKRDNRJL-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.15
Rot. Bonds7

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 19196964) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID19196964
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)COc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C22H24N2O3S/c1-5-26-19-9-7-6-8-17(19)18-13-28-22(23-18)24-20(25)12-27-21-15(3)11-10-14(2)16(21)4/h6-11,13H,5,12H2,1-4H3,(H,23,24,25)
InChIKeyQDMITDSKRDNRJL-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 55895475
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894861
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 19196964) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide is CCOc1ccccc1-c1csc(NC(=O)COc2c(C)ccc(C)c2C)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is QDMITDSKRDNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-5-26-19-9-7-6-8-17(19)18-13-28-22(23-18)24-20(25)12-27-21-15(3)11-10-14(2)16(21)4/h6-11,13H,5,12H2,1-4H3,(H,23,24,25).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 396.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 19196964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).