5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one

C18H17BrN2O2S — CID 4084085

IUPAC5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)C(=Cc3cc(Br)ccc3O)S2)cc1
InChIInChI=1S/C18H17BrN2O2S/c1-2-11-3-6-14(7-4-11)20-18-21-17(23)16(24-18)10-12-9-13(19)5-8-15(12)22/h3-10,18,20,22H,2H2,1H3,(H,21,23)
InChIKeyPGTNFXZBKFIDBQ-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.32
Rot. Bonds4

About 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one

5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (PubChem CID 4084085) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
PubChem CID4084085
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)C(=Cc3cc(Br)ccc3O)S2)cc1
InChIInChI=1S/C18H17BrN2O2S/c1-2-11-3-6-14(7-4-11)20-18-21-17(23)16(24-18)10-12-9-13(19)5-8-15(12)22/h3-10,18,20,22H,2H2,1H3,(H,21,23)
InChIKeyPGTNFXZBKFIDBQ-UHFFFAOYSA-N
XLogP4.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (CID 4084085) is 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is CCc1ccc(NC2NC(=O)C(=Cc3cc(Br)ccc3O)S2)cc1.
What is the InChIKey of 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The InChIKey is PGTNFXZBKFIDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-2-11-3-6-14(7-4-11)20-18-21-17(23)16(24-18)10-12-9-13(19)5-8-15(12)22/h3-10,18,20,22H,2H2,1H3,(H,21,23).
What are the key properties of 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one has a molecular weight of 405.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4084085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).