[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate

C23H24N2O3S — CID 16504388

IUPAC[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)CC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-17-9-11-19(12-10-17)20-15-29-23(24-20)25-21(26)14-28-22(27)13-16(2)18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,24,25,26)
InChIKeyGAZMWHZNQWNWCT-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.05
Rot. Bonds8

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

[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate (PubChem CID 16504388) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate.

Molecular Properties

Compound Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
PubChem CID16504388
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)CC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-17-9-11-19(12-10-17)20-15-29-23(24-20)25-21(26)14-28-22(27)13-16(2)18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,24,25,26)
InChIKeyGAZMWHZNQWNWCT-UHFFFAOYSA-N
XLogP5.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16543892
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 16543581
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 18278481
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate?
The IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate (CID 16504388) is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate.
What is the SMILES notation for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate?
The canonical SMILES for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate is CCc1ccc(-c2csc(NC(=O)COC(=O)CC(C)c3ccccc3)n2)cc1.
What is the InChIKey of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate?
The InChIKey is GAZMWHZNQWNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-17-9-11-19(12-10-17)20-15-29-23(24-20)25-21(26)14-28-22(27)13-16(2)18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate?
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate has a molecular weight of 408.52 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate is sourced from PubChem (CID 16504388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).