[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C20H19N3O4S — CID 8919041

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H19N3O4S/c1-2-26-17-7-5-15(6-8-17)22-18(24)12-27-19(25)10-16-13-28-20(23-16)14-4-3-9-21-11-14/h3-9,11,13H,2,10,12H2,1H3,(H,22,24)
InChIKeyATNAHRYBNZSROV-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.33
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8919041) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8919041
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H19N3O4S/c1-2-26-17-7-5-15(6-8-17)22-18(24)12-27-19(25)10-16-13-28-20(23-16)14-4-3-9-21-11-14/h3-9,11,13H,2,10,12H2,1H3,(H,22,24)
InChIKeyATNAHRYBNZSROV-UHFFFAOYSA-N
XLogP3.33
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-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

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918987
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920773
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8921005
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8919041) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is CCOc1ccc(NC(=O)COC(=O)Cc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is ATNAHRYBNZSROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-2-26-17-7-5-15(6-8-17)22-18(24)12-27-19(25)10-16-13-28-20(23-16)14-4-3-9-21-11-14/h3-9,11,13H,2,10,12H2,1H3,(H,22,24).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 397.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).