[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate

C26H22N2O3S — CID 23851559

IUPAC[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C26H22N2O3S/c29-24(17-31-25(30)16-11-19-7-3-1-4-8-19)28-26-27-23(18-32-26)22-14-12-21(13-15-22)20-9-5-2-6-10-20/h1-10,12-15,18H,11,16-17H2,(H,27,28,29)
InChIKeyQLMFYHGOSBTQKU-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.59
Rot. Bonds8

About [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate (PubChem CID 23851559) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
PubChem CID23851559
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C26H22N2O3S/c29-24(17-31-25(30)16-11-19-7-3-1-4-8-19)28-26-27-23(18-32-26)22-14-12-21(13-15-22)20-9-5-2-6-10-20/h1-10,12-15,18H,11,16-17H2,(H,27,28,29)
InChIKeyQLMFYHGOSBTQKU-UHFFFAOYSA-N
XLogP5.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 23800423
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-cyclopentylacetate
CID 2340359
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
CID 23764293
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate (CID 23851559) is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate?
The InChIKey is QLMFYHGOSBTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-24(17-31-25(30)16-11-19-7-3-1-4-8-19)28-26-27-23(18-32-26)22-14-12-21(13-15-22)20-9-5-2-6-10-20/h1-10,12-15,18H,11,16-17H2,(H,27,28,29).
What are the key properties of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate?
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate has a molecular weight of 442.54 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate is sourced from PubChem (CID 23851559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).