2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C27H24N4O3S — CID 6798512

IUPAC2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=CC=Cc3ccccc3)N(c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C27H24N4O3S/c1-19-9-11-21(12-10-19)29-25(33)18-24-26(34)31(22-13-15-23(32)16-14-22)27(35-24)30-28-17-5-8-20-6-3-2-4-7-20/h2-17,24,32H,18H2,1H3,(H,29,33)
InChIKeyISHQMWBPHNBBJL-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.23
Rot. Bonds7

About 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 6798512) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID6798512
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC Name2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=CC=Cc3ccccc3)N(c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C27H24N4O3S/c1-19-9-11-21(12-10-19)29-25(33)18-24-26(34)31(22-13-15-23(32)16-14-22)27(35-24)30-28-17-5-8-20-6-3-2-4-7-20/h2-17,24,32H,18H2,1H3,(H,29,33)
InChIKeyISHQMWBPHNBBJL-UHFFFAOYSA-N
XLogP5.23
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide 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

2-[(2E)-3-(4-hydroxyphenyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135968340
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18804110
2-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
2-[3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3390739
2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 18804116
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[4-[(Z)-[(Z)-[(5R)-5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 98143930
N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135585623
2-[3-(4-hydroxyphenyl)-4-oxo-2-[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135463328
2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136829914
N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 136912522
N-(4-bromophenyl)-2-[3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135819825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 6798512) is 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2SC(=NN=CC=Cc3ccccc3)N(c3ccc(O)cc3)C2=O)cc1.
What is the InChIKey of 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ISHQMWBPHNBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-19-9-11-21(12-10-19)29-25(33)18-24-26(34)31(22-13-15-23(32)16-14-22)27(35-24)30-28-17-5-8-20-6-3-2-4-7-20/h2-17,24,32H,18H2,1H3,(H,29,33).
What are the key properties of 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 6798512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).