[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C16H15F3N2O5S — CID 43029567

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-10-9-27-15(24)21(10)7-6-14(23)25-8-13(22)20-11-2-4-12(5-3-11)26-16(17,18)19/h2-5,9H,6-8H2,1H3,(H,20,22)
InChIKeyAJFJTRHPZLBRQF-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.69
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 43029567) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID43029567
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-10-9-27-15(24)21(10)7-6-14(23)25-8-13(22)20-11-2-4-12(5-3-11)26-16(17,18)19/h2-5,9H,6-8H2,1H3,(H,20,22)
InChIKeyAJFJTRHPZLBRQF-UHFFFAOYSA-N
XLogP2.69
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24978619
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 30261130
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 46695638
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773366
methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
CID 46538899
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 2629196
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3,5-dimethylbenzoate
CID 8012367
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24982024
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-cyanophenoxy)acetate
CID 7843207

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 43029567) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is AJFJTRHPZLBRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-10-9-27-15(24)21(10)7-6-14(23)25-8-13(22)20-11-2-4-12(5-3-11)26-16(17,18)19/h2-5,9H,6-8H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 404.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 43029567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).