ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate

C16H15F3N2O4S — CID 7667702

IUPACethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-2-25-15(24)7-14-21(13(23)9-26-14)8-12(22)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,2,8-9H2,1H3,(H,20,22)/b14-7-
InChIKeyVAZYEFUOTJOLQX-AUWJEWJLSA-N
MW388.37 g/mol
LogP2.62
Rot. Bonds5

About ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 7667702) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID7667702
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Nameethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-2-25-15(24)7-14-21(13(23)9-26-14)8-12(22)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,2,8-9H2,1H3,(H,20,22)/b14-7-
InChIKeyVAZYEFUOTJOLQX-AUWJEWJLSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(3-(((3-fluorophenyl)carbamoyl)methyl)-4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 2435457
Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
N-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)glycine
CID 658714
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 2433328
ethyl (2Z)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695338
{5-[(4-Methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
CID 2771084
2-[(2,4-Dioxo-thiazolidin-5-yl)-p-tolyl-amino]-acetamide
CID 2998472
2-(2,4-Dioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1330701
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602200
2-[(3-Methyl-2,4-dioxo-thiazolidin-5-yl)-p-tolyl-amino]-acetamide
CID 655035
2-(2,4-Dioxo-thiazolidin-3-yl)-N-(4-ethyl-phenyl)-acetamide
CID 3157630
ethyl (2Z)-2-[3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 15945443

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate (CID 7667702) is ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is VAZYEFUOTJOLQX-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-2-25-15(24)7-14-21(13(23)9-26-14)8-12(22)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,2,8-9H2,1H3,(H,20,22)/b14-7-.
What are the key properties of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 388.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 7667702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).