(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one

C24H27N3O3S — CID 135712273

IUPAC(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1OC
InChIInChI=1S/C24H27N3O3S/c1-5-12-30-20-11-8-18(13-21(20)29-4)15-25-27-24-26-23(28)22(31-24)14-17-6-9-19(10-7-17)16(2)3/h5-11,13,15-16,22H,1,12,14H2,2-4H3,(H,26,27,28)/b25-15+
InChIKeyDLEGZUKCVSBTNQ-MFKUBSTISA-N
MW437.57 g/mol
LogP4.55
Rot. Bonds9

About (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135712273) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135712273
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1OC
InChIInChI=1S/C24H27N3O3S/c1-5-12-30-20-11-8-18(13-21(20)29-4)15-25-27-24-26-23(28)22(31-24)14-17-6-9-19(10-7-17)16(2)3/h5-11,13,15-16,22H,1,12,14H2,2-4H3,(H,26,27,28)/b25-15+
InChIKeyDLEGZUKCVSBTNQ-MFKUBSTISA-N
XLogP4.55
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,5R)-2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135958753
(2E)-5-[(4-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135747355
5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137185309
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135845562
(2E)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135711959
5-benzyl-2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135464733
2-[2-[(4-methoxy-3-prop-2-enoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620209
5-[(4-fluorophenyl)methyl]-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137223028
(2E,5R)-2-[(Z)-(4-butoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 136862612
5-[(3-chlorophenyl)methyl]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137221785
(2Z)-5-[(4-butylphenyl)methyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135602835
ethyl 4-[[(2E)-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
CID 135786792

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135712273) is (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is C=CCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1OC.
What is the InChIKey of (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is DLEGZUKCVSBTNQ-MFKUBSTISA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-5-12-30-20-11-8-18(13-21(20)29-4)15-25-27-24-26-23(28)22(31-24)14-17-6-9-19(10-7-17)16(2)3/h5-11,13,15-16,22H,1,12,14H2,2-4H3,(H,26,27,28)/b25-15+.
What are the key properties of (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 437.57 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).