ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C17H18Cl2N2O4S — CID 7667785

IUPACethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-2-25-17(24)8-16-21(15(23)10-26-16)9-14(22)20-6-5-11-3-4-12(18)7-13(11)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,22)/b16-8-
InChIKeyZXHUUZLLDZCHCG-PXNMLYILSA-N
MW417.31 g/mol
LogP2.63
Rot. Bonds7

About ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 7667785) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID7667785
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Nameethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-2-25-17(24)8-16-21(15(23)10-26-16)9-14(22)20-6-5-11-3-4-12(18)7-13(11)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,22)/b16-8-
InChIKeyZXHUUZLLDZCHCG-PXNMLYILSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7667719
ethyl 2-[3-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 3308192
ethyl (2E)-2-[3-[2-(benzhydrylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2115461
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7667840
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7667714
ethyl (2E)-2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2401370
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9246485
ethyl (2Z)-2-[3-[2-(2-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7667736
ethyl (2Z)-2-[3-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2081020
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 5-chloro-2-hydroxybenzoate
CID 7503758
ethyl (2E)-2-[3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2435455
ethyl (2Z)-2-[3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695314

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 7667785) is ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is ZXHUUZLLDZCHCG-PXNMLYILSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-2-25-17(24)8-16-21(15(23)10-26-16)9-14(22)20-6-5-11-3-4-12(18)7-13(11)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,22)/b16-8-.
What are the key properties of ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 417.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 7667785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).