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

C15H17NO4S — CID 46233495

IUPAC(5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)OCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C15H17NO4S/c1-10(2)19-7-8-20-12-5-3-11(4-6-12)9-13-14(17)16-15(18)21-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)/b13-9-
InChIKeyFRHCUERMLPXPBY-LCYFTJDESA-N
MW307.37 g/mol
LogP2.81
Rot. Bonds6

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

(5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46233495) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46233495
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name(5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)OCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C15H17NO4S/c1-10(2)19-7-8-20-12-5-3-11(4-6-12)9-13-14(17)16-15(18)21-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)/b13-9-
InChIKeyFRHCUERMLPXPBY-LCYFTJDESA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.81
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'}

Analyze (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Sklb-010
CID 5373936
(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
5-(4-Methoxybenzylidene)rhodanine
CID 2787034
(5Z)-5-(3-hydroxy-4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1394178
5-(p-Methoxybenzylidene)rhodanine
CID 1241606
3-(2-Aminoethyl)-5-[(4-ethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 3377241
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
(5Z)-5-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25185171
(5Z)-5-{[2-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25189321

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46233495) is (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CC(C)OCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FRHCUERMLPXPBY-LCYFTJDESA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10(2)19-7-8-20-12-5-3-11(4-6-12)9-13-14(17)16-15(18)21-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)/b13-9-.
What are the key properties of (5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 307.37 g/mol, XLogP of 2.81, 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-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46233495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).