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

C25H19FN2O3S — CID 23800423

IUPAC[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C25H19FN2O3S/c26-21-9-5-4-8-20(21)14-24(30)31-15-23(29)28-25-27-22(16-32-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,28,29)
InChIKeyXYEGZJCMJXBVJS-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.34
Rot. Bonds7

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

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 23800423) has the molecular formula C25H19FN2O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
PubChem CID23800423
Molecular FormulaC25H19FN2O3S
Molecular Weight446.50 g/mol
Exact Mass446.11
IUPAC Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C25H19FN2O3S/c26-21-9-5-4-8-20(21)14-24(30)31-15-23(29)28-25-27-22(16-32-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,28,29)
InChIKeyXYEGZJCMJXBVJS-UHFFFAOYSA-N
XLogP5.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661242
[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] 3-phenylpropanoate
CID 23851559
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661263
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
[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] 2-(2-cyanophenoxy)acetate
CID 23764293

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate (CID 23800423) is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is XYEGZJCMJXBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3S/c26-21-9-5-4-8-20(21)14-24(30)31-15-23(29)28-25-27-22(16-32-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,28,29).
What are the key properties of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate?
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 446.50 g/mol, XLogP of 5.34, 7 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] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 23800423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).