(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C18H21NO4S — CID 46233571

IUPAC(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)cc2)S1
InChIInChI=1S/C18H21NO4S/c20-17-16(24-18(21)19-17)12-13-6-8-15(9-7-13)23-11-10-22-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,20,21)/b16-12-
InChIKeyIEEUGBNDMZQXIA-VBKFSLOCSA-N
MW347.44 g/mol
LogP3.74
Rot. Bonds6

About (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46233571) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46233571
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)cc2)S1
InChIInChI=1S/C18H21NO4S/c20-17-16(24-18(21)19-17)12-13-6-8-15(9-7-13)23-11-10-22-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,20,21)/b16-12-
InChIKeyIEEUGBNDMZQXIA-VBKFSLOCSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46233571) is (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IEEUGBNDMZQXIA-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-17-16(24-18(21)19-17)12-13-6-8-15(9-7-13)23-11-10-22-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,20,21)/b16-12-.
What are the key properties of (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 347.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46233571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).