(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one

C19H16N2O2S — CID 137216334

IUPAC(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C19H16N2O2S/c22-18-17(11-14-6-7-16-15(10-14)8-9-23-16)24-19(21-18)20-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,21,22)/b17-11+
InChIKeyOJSNJDIKPXJLER-GZTJUZNOSA-N
MW336.42 g/mol
LogP3.38
Rot. Bonds3

About (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 137216334) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID137216334
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C19H16N2O2S/c22-18-17(11-14-6-7-16-15(10-14)8-9-23-16)24-19(21-18)20-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,21,22)/b17-11+
InChIKeyOJSNJDIKPXJLER-GZTJUZNOSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[[(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]methyl]benzenesulfonamide
CID 137216324
5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-2-[3-(dimethylamino)propylimino]-1,3-thiazolidin-4-one
CID 136654541
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
CID 135538834
(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11557830
N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135873603
(NE)-N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-1-phenylmethanesulfonamide
CID 135656197
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135529216
(NE)-N-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135602906
(5E)-5-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylmethoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 143505158
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135603036
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063127
(5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135900936

Frequently Asked Questions

What is the IUPAC name of (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one (CID 137216334) is (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc2c(c1)CCO2.
What is the InChIKey of (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OJSNJDIKPXJLER-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18-17(11-14-6-7-16-15(10-14)8-9-23-16)24-19(21-18)20-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,21,22)/b17-11+.
What are the key properties of (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137216334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).