(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C20H21N3O3S — CID 135726136

IUPAC(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C[C@H]2S/C(=N/N=C\c3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-16-10-8-14(9-11-16)12-18-19(24)22-20(27-18)23-21-13-15-6-4-5-7-17(15)25-2/h4-11,13,18H,3,12H2,1-2H3,(H,22,23,24)/b21-13-/t18-/m1/s1
InChIKeyBWSYTJJQFYGTHY-LZAZYHHXSA-N
MW383.47 g/mol
LogP3.26
Rot. Bonds7

About (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135726136) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135726136
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C[C@H]2S/C(=N/N=C\c3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-16-10-8-14(9-11-16)12-18-19(24)22-20(27-18)23-21-13-15-6-4-5-7-17(15)25-2/h4-11,13,18H,3,12H2,1-2H3,(H,22,23,24)/b21-13-/t18-/m1/s1
InChIKeyBWSYTJJQFYGTHY-LZAZYHHXSA-N
XLogP3.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.26
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)-5-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712195
(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135643804
(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135951942
(2Z)-5-[(4-bromophenyl)methyl]-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135930660
(2Z)-2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135681471
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422532
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2E)-2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135723493
2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135453626
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800830
2-[(2Z,5S)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135705138

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135726136) is (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCOc1ccc(C[C@H]2S/C(=N/N=C\c3ccccc3OC)NC2=O)cc1.
What is the InChIKey of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BWSYTJJQFYGTHY-LZAZYHHXSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-16-10-8-14(9-11-16)12-18-19(24)22-20(27-18)23-21-13-15-6-4-5-7-17(15)25-2/h4-11,13,18H,3,12H2,1-2H3,(H,22,23,24)/b21-13-/t18-/m1/s1.
What are the key properties of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 383.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135726136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).