[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate

C23H24N2O5S — CID 24978777

IUPAC[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-28-18-8-10-19(11-9-18)29-14-23(27)30-13-17-15-31-22(24-17)12-21(26)25-20-7-5-4-6-16(20)2/h4-11,15H,3,12-14H2,1-2H3,(H,25,26)
InChIKeyDHEUVGMLBRJHCR-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.15
Rot. Bonds10

About [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate (PubChem CID 24978777) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate
PubChem CID24978777
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-28-18-8-10-19(11-9-18)29-14-23(27)30-13-17-15-31-22(24-17)12-21(26)25-20-7-5-4-6-16(20)2/h4-11,15H,3,12-14H2,1-2H3,(H,25,26)
InChIKeyDHEUVGMLBRJHCR-UHFFFAOYSA-N
XLogP4.15
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate (CID 24978777) is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1.
What is the InChIKey of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The InChIKey is DHEUVGMLBRJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-3-28-18-8-10-19(11-9-18)29-14-23(27)30-13-17-15-31-22(24-17)12-21(26)25-20-7-5-4-6-16(20)2/h4-11,15H,3,12-14H2,1-2H3,(H,25,26).
What are the key properties of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate?
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate has a molecular weight of 440.52 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 24978777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).