(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H18N2O3S — CID 137287458

IUPAC(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)ccc1O
InChIInChI=1S/C19H18N2O3S/c1-2-24-16-10-14(8-9-15(16)22)11-17-18(23)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21,23)/b17-11-
InChIKeyKFVQEAUDWUKSMG-BOPFTXTBSA-N
MW354.43 g/mol
LogP3.55
Rot. Bonds5

About (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137287458) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137287458
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)ccc1O
InChIInChI=1S/C19H18N2O3S/c1-2-24-16-10-14(8-9-15(16)22)11-17-18(23)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21,23)/b17-11-
InChIKeyKFVQEAUDWUKSMG-BOPFTXTBSA-N
XLogP3.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137287458) is (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1cc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)ccc1O.
What is the InChIKey of (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KFVQEAUDWUKSMG-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-24-16-10-14(8-9-15(16)22)11-17-18(23)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21,23)/b17-11-.
What are the key properties of (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137287458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).