2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

C21H22N2O3S — CID 90546349

IUPAC2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-25-17-9-11-18(12-10-17)26-14-20(24)22-13-19-15(2)23-21(27-19)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyGZJJWKLPKBHZKW-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.21
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 90546349) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID90546349
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-25-17-9-11-18(12-10-17)26-14-20(24)22-13-19-15(2)23-21(27-19)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyGZJJWKLPKBHZKW-UHFFFAOYSA-N
XLogP4.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
1-(4-butoxyphenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546629
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(2-methoxyethylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119772227
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 71795349
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide (CID 90546349) is 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide is CCOc1ccc(OCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is GZJJWKLPKBHZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-25-17-9-11-18(12-10-17)26-14-20(24)22-13-19-15(2)23-21(27-19)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90546349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).