(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione

C16H20N2O3S — CID 56969029

IUPAC(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(CC/C=C2\SC(=O)N(CCN)C2=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-2-21-13-8-6-12(7-9-13)4-3-5-14-15(19)18(11-10-17)16(20)22-14/h5-9H,2-4,10-11,17H2,1H3/b14-5-
InChIKeyLLWYMUCXJLERBA-RZNTYIFUSA-N
MW320.41 g/mol
LogP2.56
Rot. Bonds7

About (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 56969029) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione
PubChem CID56969029
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(CC/C=C2\SC(=O)N(CCN)C2=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-2-21-13-8-6-12(7-9-13)4-3-5-14-15(19)18(11-10-17)16(20)22-14/h5-9H,2-4,10-11,17H2,1H3/b14-5-
InChIKeyLLWYMUCXJLERBA-RZNTYIFUSA-N
XLogP2.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione 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

(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 56969032
2-[(5Z)-2,4-dioxo-5-[3-(4-undecoxyphenyl)propylidene]-1,3-thiazolidin-3-yl]ethylazanium
CID 140663007
(5E)-3-(2-aminoethyl)-5-[(4-propylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90235754
(5E)-3-(2-aminoethyl)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90234725
3-(2-aminoethyl)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 74869783
5-[(4-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3584359
(5Z)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione chloride
CID 21178192
5-[(4-ethoxyphenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 4073795
5-[(4-ethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 73462937
2-(4-ethoxyphenoxy)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 4029552
3-[(4-methylphenyl)methyl]-5-pentylidene-1,3-thiazolidine-2,4-dione
CID 173222057
(5E)-3-(2-aminoethyl)-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 113328892

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione (CID 56969029) is (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccc(CC/C=C2\SC(=O)N(CCN)C2=O)cc1.
What is the InChIKey of (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LLWYMUCXJLERBA-RZNTYIFUSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-21-13-8-6-12(7-9-13)4-3-5-14-15(19)18(11-10-17)16(20)22-14/h5-9H,2-4,10-11,17H2,1H3/b14-5-.
What are the key properties of (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 320.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 56969029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).