[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

C24H26N2O4S — CID 16543892

IUPAC[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)COc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-17-9-11-18(12-10-17)20-15-31-24(25-20)26-22(27)13-30-23(28)14-29-21-8-6-5-7-19(21)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,26,27)
InChIKeyVWNCBWJCOOTDER-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.06
Rot. Bonds9

About [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 16543892) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID16543892
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)COc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-17-9-11-18(12-10-17)20-15-31-24(25-20)26-22(27)13-30-23(28)14-29-21-8-6-5-7-19(21)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,26,27)
InChIKeyVWNCBWJCOOTDER-UHFFFAOYSA-N
XLogP5.06
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
CID 16504388
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 18278481
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7770883
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
CID 23764293
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524347
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 16543581
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (CID 16543892) is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is CCc1ccc(-c2csc(NC(=O)COC(=O)COc3ccccc3C(C)C)n2)cc1.
What is the InChIKey of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is VWNCBWJCOOTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-17-9-11-18(12-10-17)20-15-31-24(25-20)26-22(27)13-30-23(28)14-29-21-8-6-5-7-19(21)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,26,27).
What are the key properties of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 438.55 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 16543892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).