[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C14H11F3N2O4S — CID 24687364

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O4S/c1-7-6-24-14(22)19(7)4-11(21)23-5-10(20)18-9-3-2-8(15)12(16)13(9)17/h2-3,6H,4-5H2,1H3,(H,18,20)
InChIKeyVILSOOFDQUXQHQ-UHFFFAOYSA-N
MW360.31 g/mol
LogP1.82
Rot. Bonds5

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 24687364) has the molecular formula C14H11F3N2O4S and a molecular weight of 360.31 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID24687364
Molecular FormulaC14H11F3N2O4S
Molecular Weight360.31 g/mol
Exact Mass360.04
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O4S/c1-7-6-24-14(22)19(7)4-11(21)23-5-10(20)18-9-3-2-8(15)12(16)13(9)17/h2-3,6H,4-5H2,1H3,(H,18,20)
InChIKeyVILSOOFDQUXQHQ-UHFFFAOYSA-N
XLogP1.82
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-fluoroanilino)-2-oxoacetate
CID 2774365
Ethyl 2-(3-(((3-fluorophenyl)carbamoyl)methyl)-4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 2435457
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980306
(2R)-2-acetamido-3-[(4-fluorophenyl)carbamoylsulfanyl]propanoic acid
CID 53324468
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 8776702
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602200
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687465
[1-Oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687633
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163721
(2-Anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4854581
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24687399

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 24687364) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is VILSOOFDQUXQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4S/c1-7-6-24-14(22)19(7)4-11(21)23-5-10(20)18-9-3-2-8(15)12(16)13(9)17/h2-3,6H,4-5H2,1H3,(H,18,20).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 360.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 24687364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).