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

C16H21ClN2O3S — CID 56969032

IUPAC(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCCOc1ccccc1CC/C=C1\SC(=O)N(CCN)C1=O.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-2-21-13-8-4-3-6-12(13)7-5-9-14-15(19)18(11-10-17)16(20)22-14;/h3-4,6,8-9H,2,5,7,10-11,17H2,1H3;1H/b14-9-;
InChIKeyWBWSORXQNUNVBV-WQRRWHLMSA-N
MW356.88 g/mol
LogP2.98
Rot. Bonds7

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

(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 56969032) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID56969032
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCCOc1ccccc1CC/C=C1\SC(=O)N(CCN)C1=O.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-2-21-13-8-4-3-6-12(13)7-5-9-14-15(19)18(11-10-17)16(20)22-14;/h3-4,6,8-9H,2,5,7,10-11,17H2,1H3;1H/b14-9-;
InChIKeyWBWSORXQNUNVBV-WQRRWHLMSA-N
XLogP2.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.98
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-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride 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-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione
CID 56969029
3-(2-aminoethyl)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 74869783
(5E)-3-benzyl-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1232045
3-benzyl-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2904640
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126131817
(5E)-3-(2-aminoethyl)-5-[(4-propylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90235754
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831
5-[(4-ethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 73462937
(5E)-3-(2-aminoethyl)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90234725
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126147880
(5Z)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126060569

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 56969032) is (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride is CCOc1ccccc1CC/C=C1\SC(=O)N(CCN)C1=O.Cl.
What is the InChIKey of (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is WBWSORXQNUNVBV-WQRRWHLMSA-N. The full InChI is InChI=1S/C16H20N2O3S.ClH/c1-2-21-13-8-4-3-6-12(13)7-5-9-14-15(19)18(11-10-17)16(20)22-14;/h3-4,6,8-9H,2,5,7,10-11,17H2,1H3;1H/b14-9-;.
What are the key properties of (5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride?
(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.98, 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-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 56969032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).