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

C19H19N3O3S — CID 135699720

IUPAC(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2O)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-16-9-7-14(8-10-16)12-22-18(24)13-26-19(22)21-20-11-15-5-3-4-6-17(15)23/h3-11,23H,2,12-13H2,1H3/b20-11+,21-19-
InChIKeyDEPMOHKPLVEUJH-YOPNLDQXSA-N
MW369.45 g/mol
LogP3.26
Rot. Bonds6

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

(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135699720) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135699720
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2O)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-25-16-9-7-14(8-10-16)12-22-18(24)13-26-19(22)21-20-11-15-5-3-4-6-17(15)23/h3-11,23H,2,12-13H2,1H3/b20-11+,21-19-
InChIKeyDEPMOHKPLVEUJH-YOPNLDQXSA-N
XLogP3.26
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1420863
(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6879010
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 6880042
3-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1422805
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6887833
(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 6887796
(2E)-3-benzyl-2-[(Z)-heptan-3-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714711
(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 118713906
(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127039380
2-[[(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]isoindole-1,3-dione
CID 127040516
(2E,5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772942

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135699720) is (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2O)cc1.
What is the InChIKey of (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DEPMOHKPLVEUJH-YOPNLDQXSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-16-9-7-14(8-10-16)12-22-18(24)13-26-19(22)21-20-11-15-5-3-4-6-17(15)23/h3-11,23H,2,12-13H2,1H3/b20-11+,21-19-.
What are the key properties of (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135699720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).