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

C13H20N2O3S — CID 6304

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IUPACethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C
InChIInChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3
InChIKeyZCKKHYXUQFTBIK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds3

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

ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (PubChem CID 6304) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
PubChem CID6304
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SMILESCCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C
InChIInChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3
InChIKeyZCKKHYXUQFTBIK-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate with MolForge

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Related Compounds

Etozolin
CID 5743585
Piprozolin
CID 5911905
Ozolinone
CID 6436036
Dexetozoline
CID 637492
Ethyl 2-{3-[2-(morpholin-4-yl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene}acetate
CID 2435432
Ethyl (Z)-(3-methyl-4-oxo-5-piperidino-thiazolidin-2-ylidene)acetate
CID 5384145
2-(3-Ethyl-4-oxo-5-piperidino-2-thiazolidinylidene)acetic acid ethyl ester
CID 9904352
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
delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-5-morpholino-4-oxo-, ethyl ester
CID 6447374
delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester
CID 6447375
Acetic acid, (4-oxo-5-(1-piperidinyl)-2-thiazoli
CID 6447376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The IUPAC name of ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate (CID 6304) is ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The canonical SMILES for ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C.
What is the InChIKey of ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
The InChIKey is ZCKKHYXUQFTBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate?
ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate has a molecular weight of 284.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate is sourced from PubChem (CID 6304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).