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

C21H22N2O2S — CID 1192500

IUPAC2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1cccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1
InChIInChI=1S/C21H22N2O2S/c1-4-16-6-5-7-18(12-16)25-13-19(24)22-21-23-20(15(3)26-21)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyOBHCHOYIQQJYAO-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.01
Rot. Bonds6

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

2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1192500) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1192500
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1cccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1
InChIInChI=1S/C21H22N2O2S/c1-4-16-6-5-7-18(12-16)25-13-19(24)22-21-23-20(15(3)26-21)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyOBHCHOYIQQJYAO-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-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 1191419
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202264
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406871
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 12525792
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1192500) is 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1cccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OBHCHOYIQQJYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-16-6-5-7-18(12-16)25-13-19(24)22-21-23-20(15(3)26-21)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-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 2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1192500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).