(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3O3S — CID 135712180

IUPAC(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4ccccc4)o3)NC2=O)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-17-9-7-15(8-10-17)13-20-21(26)24-22(29-20)25-23-14-18-11-12-19(28-18)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14+
InChIKeyXYBGQKYTIYDTFS-OEAKJJBVSA-N
MW405.48 g/mol
LogP4.12
Rot. Bonds6

About (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135712180) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135712180
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4ccccc4)o3)NC2=O)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-17-9-7-15(8-10-17)13-20-21(26)24-22(29-20)25-23-14-18-11-12-19(28-18)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14+
InChIKeyXYBGQKYTIYDTFS-OEAKJJBVSA-N
XLogP4.12
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135815356
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
(2E,5S)-2-[(Z)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135780067
2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 137179474
(2E)-2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135645347
5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135500177
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921
(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135878944

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135712180) is (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(CC2S/C(=N/N=C/c3ccc(-c4ccccc4)o3)NC2=O)cc1.
What is the InChIKey of (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XYBGQKYTIYDTFS-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-17-9-7-15(8-10-17)13-20-21(26)24-22(29-20)25-23-14-18-11-12-19(28-18)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14+.
What are the key properties of (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).