(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C17H15NO4S2 — CID 87224529

IUPAC(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OCCc1cccs1
InChIInChI=1S/C17H15NO4S2/c1-21-13-5-4-11(10-15-16(19)18-17(20)24-15)9-14(13)22-7-6-12-3-2-8-23-12/h2-5,8-10H,6-7H2,1H3,(H,18,19,20)/b15-10+
InChIKeyAIPRXBJRTMKCGX-XNTDXEJSSA-N
MW361.44 g/mol
LogP3.70
Rot. Bonds6

About (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87224529) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87224529
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OCCc1cccs1
InChIInChI=1S/C17H15NO4S2/c1-21-13-5-4-11(10-15-16(19)18-17(20)24-15)9-14(13)22-7-6-12-3-2-8-23-12/h2-5,8-10H,6-7H2,1H3,(H,18,19,20)/b15-10+
InChIKeyAIPRXBJRTMKCGX-XNTDXEJSSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87224529) is (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2/SC(=O)NC2=O)cc1OCCc1cccs1.
What is the InChIKey of (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AIPRXBJRTMKCGX-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H15NO4S2/c1-21-13-5-4-11(10-15-16(19)18-17(20)24-15)9-14(13)22-7-6-12-3-2-8-23-12/h2-5,8-10H,6-7H2,1H3,(H,18,19,20)/b15-10+.
What are the key properties of (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 361.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).