[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate

C25H28N2O5S — CID 16527883

IUPAC[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3CC)n2)cc1OCC
InChIInChI=1S/C25H28N2O5S/c1-5-18-10-8-9-11-21(18)27(17(4)28)25-26-20(16-33-25)15-32-24(29)19-12-13-22(30-6-2)23(14-19)31-7-3/h8-14,16H,5-7,15H2,1-4H3
InChIKeyJRFFZAQZDAKJBF-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.54
Rot. Bonds10

About [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate (PubChem CID 16527883) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
PubChem CID16527883
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3CC)n2)cc1OCC
InChIInChI=1S/C25H28N2O5S/c1-5-18-10-8-9-11-21(18)27(17(4)28)25-26-20(16-33-25)15-32-24(29)19-12-13-22(30-6-2)23(14-19)31-7-3/h8-14,16H,5-7,15H2,1-4H3
InChIKeyJRFFZAQZDAKJBF-UHFFFAOYSA-N
XLogP5.54
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523844
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
CID 7969107
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-butoxy-3-methoxybenzoate
CID 42983212
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510636
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7813926
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methylbenzoate
CID 18089263
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
CID 8969978
N-[4-[(4-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24670849
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-fluoro-4-methylbenzoate
CID 9386935
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-ethoxyphenoxy)acetate
CID 46538368
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate?
The IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate (CID 16527883) is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate.
What is the SMILES notation for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate?
The canonical SMILES for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3CC)n2)cc1OCC.
What is the InChIKey of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate?
The InChIKey is JRFFZAQZDAKJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-18-10-8-9-11-21(18)27(17(4)28)25-26-20(16-33-25)15-32-24(29)19-12-13-22(30-6-2)23(14-19)31-7-3/h8-14,16H,5-7,15H2,1-4H3.
What are the key properties of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate?
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate has a molecular weight of 468.58 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate is sourced from PubChem (CID 16527883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).