ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate

C13H20N2O3S — CID 6447373

IUPACethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\SC(N2CCCC2)C(=O)N1CC
InChIInChI=1S/C13H20N2O3S/c1-3-15-10(9-11(16)18-4-2)19-13(12(15)17)14-7-5-6-8-14/h9,13H,3-8H2,1-2H3/b10-9-
InChIKeyMBTUBMPFUUWIOC-KTKRTIGZSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds4

About ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate

ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (PubChem CID 6447373) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
PubChem CID6447373
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\SC(N2CCCC2)C(=O)N1CC
InChIInChI=1S/C13H20N2O3S/c1-3-15-10(9-11(16)18-4-2)19-13(12(15)17)14-7-5-6-8-14/h9,13H,3-8H2,1-2H3/b10-9-
InChIKeyMBTUBMPFUUWIOC-KTKRTIGZSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate with MolForge

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Related Compounds

Etozolin
CID 5743585
Piprozolin
CID 5911905
2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid ethyl ester
CID 9904352
Ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
CID 6304
Dexetozoline
CID 637492
Ethyl (Z)-(3-methyl-4-oxo-5-piperidino-thiazolidin-2-ylidene)acetate
CID 5384145
Ethyl 2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
CID 28426
ethyl (S)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate
CID 643753
delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester
CID 6447375
CID 5324252
CID 5324252
(+)-Etozolin
CID 3038220
Etozolin hydrochloride
CID 72710623

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (CID 6447373) is ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is CCOC(=O)/C=C1\SC(N2CCCC2)C(=O)N1CC.
What is the InChIKey of ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The InChIKey is MBTUBMPFUUWIOC-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-15-10(9-11(16)18-4-2)19-13(12(15)17)14-7-5-6-8-14/h9,13H,3-8H2,1-2H3/b10-9-.
What are the key properties of ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate has a molecular weight of 284.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is sourced from PubChem (CID 6447373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).