N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C21H22N2O2S — CID 46585808

IUPACN-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-4-25-18-9-7-16(8-10-18)21-22-17(13-26-21)12-20(24)23-19-11-14(2)5-6-15(19)3/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyNGVWNIDLTGMSRA-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.01
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46585808) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46585808
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-4-25-18-9-7-16(8-10-18)21-22-17(13-26-21)12-20(24)23-19-11-14(2)5-6-15(19)3/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyNGVWNIDLTGMSRA-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 39166248
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55783007
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46585808) is N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NGVWNIDLTGMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-25-18-9-7-16(8-10-18)21-22-17(13-26-21)12-20(24)23-19-11-14(2)5-6-15(19)3/h5-11,13H,4,12H2,1-3H3,(H,23,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46585808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).