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

C26H24N4O3S — CID 135501579

IUPACN-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(OCc4ccccc4)cc3)NC2=O)cc1
InChIInChI=1S/C26H24N4O3S/c1-18-7-11-21(12-8-18)28-24(31)15-23-25(32)29-26(34-23)30-27-16-19-9-13-22(14-10-19)33-17-20-5-3-2-4-6-20/h2-14,16,23H,15,17H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyRZLWQKICOFMHRB-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.52
Rot. Bonds8

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

N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135501579) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135501579
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(OCc4ccccc4)cc3)NC2=O)cc1
InChIInChI=1S/C26H24N4O3S/c1-18-7-11-21(12-8-18)28-24(31)15-23-25(32)29-26(34-23)30-27-16-19-9-13-22(14-10-19)33-17-20-5-3-2-4-6-20/h2-14,16,23H,15,17H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyRZLWQKICOFMHRB-UHFFFAOYSA-N
XLogP4.52
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.52
H-Bond Donors ≤ 52
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

2-[(2E)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500801
2-[4-[(Z)-[(Z)-[(5S)-5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 136802950
2-[(2Z,5R)-2-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136859962
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072
2-[4-[[[5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 135518545
2-[(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135659010
2-[(2E)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135706987
N-(4-acetylphenyl)-2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135457282
2-[(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500775
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135640980
2-[(5R)-2-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136858495
(2Z,5R)-2-[(E)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135764028

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135501579) is N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(OCc4ccccc4)cc3)NC2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RZLWQKICOFMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-18-7-11-21(12-8-18)28-24(31)15-23-25(32)29-26(34-23)30-27-16-19-9-13-22(14-10-19)33-17-20-5-3-2-4-6-20/h2-14,16,23H,15,17H2,1H3,(H,28,31)(H,29,30,32).
What are the key properties of N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-oxo-2-[(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135501579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).