(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

C14H15N3O2S — CID 135856668

IUPAC(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N/N=Cc2ccc(OC)cc2)NC1=O
InChIInChI=1S/C14H15N3O2S/c1-3-4-12-13(18)16-14(20-12)17-15-9-10-5-7-11(19-2)8-6-10/h3,5-9,12H,1,4H2,2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyGTUMAYGPUXCXJV-LBPRGKRZSA-N
MW289.36 g/mol
LogP2.19
Rot. Bonds5

About (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 135856668) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID135856668
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N/N=Cc2ccc(OC)cc2)NC1=O
InChIInChI=1S/C14H15N3O2S/c1-3-4-12-13(18)16-14(20-12)17-15-9-10-5-7-11(19-2)8-6-10/h3,5-9,12H,1,4H2,2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyGTUMAYGPUXCXJV-LBPRGKRZSA-N
XLogP2.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 137195541
(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135779975
(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 136843635
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135472379
(2Z,5R)-2-[(E)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135764028
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135856692
N-carbamoyl-2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135798637
5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135469001
2-[(2E,5R)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-propan-2-ylacetamide
CID 135780057
N-butyl-2-[(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135810737
5-[(4-methoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486250
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135949645

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (CID 135856668) is (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is C=CC[C@@H]1S/C(=N/N=Cc2ccc(OC)cc2)NC1=O.
What is the InChIKey of (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is GTUMAYGPUXCXJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-4-12-13(18)16-14(20-12)17-15-9-10-5-7-11(19-2)8-6-10/h3,5-9,12H,1,4H2,2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 289.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135856668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).