ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate

C19H26N2O3S — CID 3057271

IUPACethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate
SMILESCCOC(=O)/C(=C1/SCC(=O)N1CCN(CC)CC)c1ccccc1
InChIInChI=1S/C19H26N2O3S/c1-4-20(5-2)12-13-21-16(22)14-25-18(21)17(19(23)24-6-3)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3/b18-17+
InChIKeyFSVISPHULUFUBX-ISLYRVAYSA-N
MW362.50 g/mol
LogP2.84
Rot. Bonds8

About ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate

ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate (PubChem CID 3057271) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate
PubChem CID3057271
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nameethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate
SMILESCCOC(=O)/C(=C1/SCC(=O)N1CCN(CC)CC)c1ccccc1
InChIInChI=1S/C19H26N2O3S/c1-4-20(5-2)12-13-21-16(22)14-25-18(21)17(19(23)24-6-3)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3/b18-17+
InChIKeyFSVISPHULUFUBX-ISLYRVAYSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.84
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-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate with MolForge

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

Launch Full Analysis

Related Compounds

3-Methylbut-2-enyl 2-[2-(diethylamino)ethylsulfanyl]-2-phenylacetate
CID 73348823
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl benzoate
CID 7503813
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 9002138
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 56187650
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 4-fluorobenzoate
CID 56188096
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 2-(3-fluorophenyl)acetate
CID 56282132
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 3-(4-fluorophenyl)propanoate
CID 56282139
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 56282175
3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 56284090
benzyl (2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 58623969
Cyano-(3-ethyl-4-oxo-thiazolidin-2-ylidene)-acetic acid benzyl ester
CID 76841554
Ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
CID 139915506

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate?
The IUPAC name of ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate (CID 3057271) is ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate.
What is the SMILES notation for ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate?
The canonical SMILES for ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate is CCOC(=O)/C(=C1/SCC(=O)N1CCN(CC)CC)c1ccccc1.
What is the InChIKey of ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate?
The InChIKey is FSVISPHULUFUBX-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-20(5-2)12-13-21-16(22)14-25-18(21)17(19(23)24-6-3)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3/b18-17+.
What are the key properties of ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate?
ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate has a molecular weight of 362.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate is sourced from PubChem (CID 3057271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).