2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide

C21H23N3O2S — CID 28857104

IUPAC2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C21H23N3O2S/c1-3-14-7-5-8-15(4-2)20(14)24-19(25)12-26-17-10-6-9-16(11-17)18-13-27-21(22)23-18/h5-11,13H,3-4,12H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyCWHNINHNHFJEKI-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.53
Rot. Bonds7

About 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide

2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide (PubChem CID 28857104) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
PubChem CID28857104
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C21H23N3O2S/c1-3-14-7-5-8-15(4-2)20(14)24-19(25)12-26-17-10-6-9-16(11-17)18-13-27-21(22)23-18/h5-11,13H,3-4,12H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyCWHNINHNHFJEKI-UHFFFAOYSA-N
XLogP4.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide
CID 28857519
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 28857238
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 28856245
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide (CID 28857104) is 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)COc1cccc(-c2csc(N)n2)c1.
What is the InChIKey of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is CWHNINHNHFJEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-14-7-5-8-15(4-2)20(14)24-19(25)12-26-17-10-6-9-16(11-17)18-13-27-21(22)23-18/h5-11,13H,3-4,12H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 28857104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).