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

C12H18N2O3S — CID 6447375

IUPACethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/SC(N2CCCC2)C(=O)N1C
InChIInChI=1S/C12H18N2O3S/c1-3-17-10(15)8-9-13(2)11(16)12(18-9)14-6-4-5-7-14/h8,12H,3-7H2,1-2H3/b9-8+
InChIKeyHWOHDHRCYDZIOM-CMDGGOBGSA-N
MW270.35 g/mol
LogP1.02
Rot. Bonds3

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

ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (PubChem CID 6447375) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
PubChem CID6447375
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/SC(N2CCCC2)C(=O)N1C
InChIInChI=1S/C12H18N2O3S/c1-3-17-10(15)8-9-13(2)11(16)12(18-9)14-6-4-5-7-14/h8,12H,3-7H2,1-2H3/b9-8+
InChIKeyHWOHDHRCYDZIOM-CMDGGOBGSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-(3-methyl-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-ethyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester
CID 6447373
CID 5324252
CID 5324252
(+)-Etozolin
CID 3038220
Etozolin hydrochloride
CID 72710623

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (CID 6447375) is ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is CCOC(=O)/C=C1/SC(N2CCCC2)C(=O)N1C.
What is the InChIKey of ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The InChIKey is HWOHDHRCYDZIOM-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-10(15)8-9-13(2)11(16)12(18-9)14-6-4-5-7-14/h8,12H,3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate has a molecular weight of 270.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is sourced from PubChem (CID 6447375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).