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

C13H18N2O5S — CID 2435432

IUPACethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5S/c1-2-20-13(18)7-12-15(11(17)9-21-12)8-10(16)14-3-5-19-6-4-14/h7H,2-6,8-9H2,1H3/b12-7-
InChIKeyIEVRXJNUTFAVLB-GHXNOFRVSA-N
MW314.36 g/mol
LogP-0.17
Rot. Bonds4

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

ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2435432) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2435432
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5S/c1-2-20-13(18)7-12-15(11(17)9-21-12)8-10(16)14-3-5-19-6-4-14/h7H,2-6,8-9H2,1H3/b12-7-
InChIKeyIEVRXJNUTFAVLB-GHXNOFRVSA-N
XLogP-0.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2435432) is ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCOCC1.
What is the InChIKey of ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is IEVRXJNUTFAVLB-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-20-13(18)7-12-15(11(17)9-21-12)8-10(16)14-3-5-19-6-4-14/h7H,2-6,8-9H2,1H3/b12-7-.
What are the key properties of ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 314.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2435432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).