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

C24H17FN2O3S — CID 23988138

IUPAC[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H17FN2O3S/c25-20-12-10-19(11-13-20)23(29)30-14-22(28)27-24-26-21(15-31-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,27,28)
InChIKeyMSAWHQBUDAOAHY-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.41
Rot. Bonds6

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

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate (PubChem CID 23988138) has the molecular formula C24H17FN2O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
PubChem CID23988138
Molecular FormulaC24H17FN2O3S
Molecular Weight432.48 g/mol
Exact Mass432.09
IUPAC Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H17FN2O3S/c25-20-12-10-19(11-13-20)23(29)30-14-22(28)27-24-26-21(15-31-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,27,28)
InChIKeyMSAWHQBUDAOAHY-UHFFFAOYSA-N
XLogP5.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate
CID 2409334
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23987147
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606412
[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-(2-fluorophenyl)acetate
CID 23800423
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18204805
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8790721
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4692630
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943644

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate?
The IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate (CID 23988138) is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate?
The canonical SMILES for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate?
The InChIKey is MSAWHQBUDAOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O3S/c25-20-12-10-19(11-13-20)23(29)30-14-22(28)27-24-26-21(15-31-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H,14H2,(H,26,27,28).
What are the key properties of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate?
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate has a molecular weight of 432.48 g/mol, XLogP of 5.41, 6 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] 4-fluorobenzoate is sourced from PubChem (CID 23988138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).