[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate

C24H26N2O5S — CID 55507015

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1-c1nc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)cs1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-12-8-6-10-19(21)24-25-18(16-32-24)13-23(28)31-15-22(27)26(2)14-17-9-5-7-11-20(17)29-3/h5-12,16H,4,13-15H2,1-3H3
InChIKeySHSOLSYFIJPVHI-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.96
Rot. Bonds10

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 55507015) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID55507015
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1-c1nc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)cs1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-12-8-6-10-19(21)24-25-18(16-32-24)13-23(28)31-15-22(27)26(2)14-17-9-5-7-11-20(17)29-3/h5-12,16H,4,13-15H2,1-3H3
InChIKeySHSOLSYFIJPVHI-UHFFFAOYSA-N
XLogP3.96
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55562948
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969151
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 29416576
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55621355
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130290
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 42438100
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55508852
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026526
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 55507015) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate is CCOc1ccccc1-c1nc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)cs1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is SHSOLSYFIJPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-30-21-12-8-6-10-19(21)24-25-18(16-32-24)13-23(28)31-15-22(27)26(2)14-17-9-5-7-11-20(17)29-3/h5-12,16H,4,13-15H2,1-3H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 454.55 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55507015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).