(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C23H25N3O3S — CID 126243731

IUPAC(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)S/C1=N/c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-3-26-22(27)21(30-23(26)24-18-7-5-4-6-8-18)15-17-9-10-19(16-20(17)28-2)25-11-13-29-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3/b21-15-,24-23+
InChIKeyVEQCJDYMHKULPM-BRBBDLJVSA-N
MW423.54 g/mol
LogP4.16
Rot. Bonds5

About (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126243731) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126243731
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)S/C1=N/c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-3-26-22(27)21(30-23(26)24-18-7-5-4-6-8-18)15-17-9-10-19(16-20(17)28-2)25-11-13-29-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3/b21-15-,24-23+
InChIKeyVEQCJDYMHKULPM-BRBBDLJVSA-N
XLogP4.16
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126238133
(5E)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600
(5E)-3-ethyl-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 50869863
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 126111607
(5E)-3-ethyl-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8555221
(5Z)-3-ethyl-5-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 50856256
2-[(5Z)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 126258544
N-[3-[(Z)-[3-ethyl-2-(4-morpholin-4-ylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126214110
3-[2-(1H-indol-3-yl)ethyl]-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 3434872
(5Z)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 126105180
ethyl 2-[(5E)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126259769
1,3-diethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1275837

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 126243731) is (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VEQCJDYMHKULPM-BRBBDLJVSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-26-22(27)21(30-23(26)24-18-7-5-4-6-8-18)15-17-9-10-19(16-20(17)28-2)25-11-13-29-14-12-25/h4-10,15-16H,3,11-14H2,1-2H3/b21-15-,24-23+.
What are the key properties of (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 423.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126243731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).