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

C16H18N2O4S — CID 46233493

IUPAC(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCN3CCOCC3)cc2)S1
InChIInChI=1S/C16H18N2O4S/c19-15-14(23-16(20)17-15)11-12-1-3-13(4-2-12)22-10-7-18-5-8-21-9-6-18/h1-4,11H,5-10H2,(H,17,19,20)/b14-11-
InChIKeyQFUSXMLHGQOBNI-KAMYIIQDSA-N
MW334.40 g/mol
LogP1.72
Rot. Bonds5

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

(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46233493) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46233493
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCN3CCOCC3)cc2)S1
InChIInChI=1S/C16H18N2O4S/c19-15-14(23-16(20)17-15)11-12-1-3-13(4-2-12)22-10-7-18-5-8-21-9-6-18/h1-4,11H,5-10H2,(H,17,19,20)/b14-11-
InChIKeyQFUSXMLHGQOBNI-KAMYIIQDSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.72
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 (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46233493) is (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCN3CCOCC3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QFUSXMLHGQOBNI-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-15-14(23-16(20)17-15)11-12-1-3-13(4-2-12)22-10-7-18-5-8-21-9-6-18/h1-4,11H,5-10H2,(H,17,19,20)/b14-11-.
What are the key properties of (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).