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

C18H22N2O4S — CID 2433328

IUPACethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18(23)9-17-20(16(22)11-25-17)10-15(21)19-14-7-5-13(6-8-14)12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21)/b17-9-
InChIKeyCYPPVKGRCMDFDR-MFOYZWKCSA-N
MW362.45 g/mol
LogP2.73
Rot. Bonds6

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

ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2433328) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2433328
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18(23)9-17-20(16(22)11-25-17)10-15(21)19-14-7-5-13(6-8-14)12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21)/b17-9-
InChIKeyCYPPVKGRCMDFDR-MFOYZWKCSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.73
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-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate with MolForge

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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
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 8158736
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-Dioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1330701
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163721
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 2093684
ethyl (2Z)-2-[3-[2-(benzhydrylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2115462
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-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (CID 2433328) is ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is CYPPVKGRCMDFDR-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-18(23)9-17-20(16(22)11-25-17)10-15(21)19-14-7-5-13(6-8-14)12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,21)/b17-9-.
What are the key properties of ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 362.45 g/mol, XLogP of 2.73, 6 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-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2433328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).