(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one

C23H32N4O2S — CID 6991386

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/SC(=NCN3CCCCC3)N(CN3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H32N4O2S/c1-29-20-10-8-19(9-11-20)16-21-22(28)27(18-26-14-6-3-7-15-26)23(30-21)24-17-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15,17-18H2,1H3/b21-16+,24-23?
InChIKeyCKBWYBIZGZOUQM-YSKMNUJESA-N
MW428.60 g/mol
LogP3.85
Rot. Bonds6

About (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one

(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one (PubChem CID 6991386) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one
PubChem CID6991386
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/SC(=NCN3CCCCC3)N(CN3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H32N4O2S/c1-29-20-10-8-19(9-11-20)16-21-22(28)27(18-26-14-6-3-7-15-26)23(30-21)24-17-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15,17-18H2,1H3/b21-16+,24-23?
InChIKeyCKBWYBIZGZOUQM-YSKMNUJESA-N
XLogP3.85
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one 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

(5E)-3-(azepan-1-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18529066
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 24846761
(5E)-5-[(3-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1352786
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 5369167
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 2256984
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1254954
(5Z)-5-[(4-propan-2-ylphenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1202035
(5Z)-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 155552606
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 6137186
(5Z)-3-(2-methoxyethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2179891

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one (CID 6991386) is (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one is COc1ccc(/C=C2/SC(=NCN3CCCCC3)N(CN3CCCCC3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one?
The InChIKey is CKBWYBIZGZOUQM-YSKMNUJESA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-29-20-10-8-19(9-11-20)16-21-22(28)27(18-26-14-6-3-7-15-26)23(30-21)24-17-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15,17-18H2,1H3/b21-16+,24-23?.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one has a molecular weight of 428.60 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6991386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).