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

C26H23N3O3S — CID 55423156

IUPAC[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2ccccn2)n1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3O3S/c30-24(29-23(20-11-5-2-6-12-20)15-19-9-3-1-4-10-19)17-32-25(31)16-21-18-33-26(28-21)22-13-7-8-14-27-22/h1-14,18,23H,15-17H2,(H,29,30)
InChIKeyXAPOVKJNHILDEN-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.39
Rot. Bonds9

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

[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 55423156) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID55423156
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2ccccn2)n1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3O3S/c30-24(29-23(20-11-5-2-6-12-20)15-19-9-3-1-4-10-19)17-32-25(31)16-21-18-33-26(28-21)22-13-7-8-14-27-22/h1-14,18,23H,15-17H2,(H,29,30)
InChIKeyXAPOVKJNHILDEN-UHFFFAOYSA-N
XLogP4.39
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-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-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55508852
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563571
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 43015443
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 166201420
N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55806343

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 55423156) is [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2ccccn2)n1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is XAPOVKJNHILDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-24(29-23(20-11-5-2-6-12-20)15-19-9-3-1-4-10-19)17-32-25(31)16-21-18-33-26(28-21)22-13-7-8-14-27-22/h1-14,18,23H,15-17H2,(H,29,30).
What are the key properties of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 457.56 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55423156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).