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

C16H17ClN2O4S — CID 2695332

IUPACethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-2-23-16(22)7-15-19(14(21)10-24-15)9-13(20)18-8-11-4-3-5-12(17)6-11/h3-7H,2,8-10H2,1H3,(H,18,20)/b15-7-
InChIKeySWEURLWEYDMHOP-CHHVJCJISA-N
MW368.84 g/mol
LogP1.94
Rot. Bonds6

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

ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2695332) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2695332
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Nameethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-2-23-16(22)7-15-19(14(21)10-24-15)9-13(20)18-8-11-4-3-5-12(17)6-11/h3-7H,2,8-10H2,1H3,(H,18,20)/b15-7-
InChIKeySWEURLWEYDMHOP-CHHVJCJISA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.94
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-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[3-[2-(benzhydrylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2115462
ethyl (2Z)-2-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2491050
ethyl (2Z)-2-[3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 15945443
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 6296120
ethyl (2Z)-2-[3-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695342
ethyl (2Z)-2-[3-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695344
Ethyl 2-[[2-[2-(3-chloro-4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 4353752
Ethyl 2-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 4603742
ethyl (2Z)-2-[3-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7667584
ethyl (2Z)-2-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7667758
ethyl (2Z)-2-[(5Z)-5-[(3-chlorophenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 24429721
ethyl (2Z)-2-[3-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 24581730

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2695332) is ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is SWEURLWEYDMHOP-CHHVJCJISA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-2-23-16(22)7-15-19(14(21)10-24-15)9-13(20)18-8-11-4-3-5-12(17)6-11/h3-7H,2,8-10H2,1H3,(H,18,20)/b15-7-.
What are the key properties of ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 368.84 g/mol, XLogP of 1.94, 6 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-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2695332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).