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

C20H19NO5S — CID 2226770

IUPAC(5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1OCCCOc1cccc(/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C20H19NO5S/c1-24-16-8-2-3-9-17(16)26-11-5-10-25-15-7-4-6-14(12-15)13-18-19(22)21-20(23)27-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,22,23)/b18-13-
InChIKeyHQQCHWIIIXIXMB-AQTBWJFISA-N
MW385.44 g/mol
LogP3.87
Rot. Bonds8

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

(5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2226770) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2226770
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1OCCCOc1cccc(/C=C2\SC(=O)NC2=O)c1
InChIInChI=1S/C20H19NO5S/c1-24-16-8-2-3-9-17(16)26-11-5-10-25-15-7-4-6-14(12-15)13-18-19(22)21-20(23)27-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,22,23)/b18-13-
InChIKeyHQQCHWIIIXIXMB-AQTBWJFISA-N
XLogP3.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

(5E)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
CID 5751075
5-(3-Methoxybenzylidene)thiazolidine-2,4-dione
CID 1243769
5-(3-Phenoxybenzylidene)thiazolidine-2,4-dione
CID 1350369
(5Z)-5-(3-hydroxy-4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1394178
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
4-(4-((2,4-Dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
CID 46916268
(Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione
CID 5708137
5-[3-(Benzyloxy)-4-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1350270
5-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 233073
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6005649
(5Z)-5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6212762

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 2226770) is (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccccc1OCCCOc1cccc(/C=C2\SC(=O)NC2=O)c1.
What is the InChIKey of (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HQQCHWIIIXIXMB-AQTBWJFISA-N. The full InChI is InChI=1S/C20H19NO5S/c1-24-16-8-2-3-9-17(16)26-11-5-10-25-15-7-4-6-14(12-15)13-18-19(22)21-20(23)27-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,22,23)/b18-13-.
What are the key properties of (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2226770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).