2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C22H16ClN5O5S — CID 135786844

IUPAC2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\N=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)NC1=O)Nc1ccccc1
InChIInChI=1S/C22H16ClN5O5S/c23-16-8-6-13(10-17(16)28(31)32)18-9-7-15(33-18)12-24-27-22-26-21(30)19(34-22)11-20(29)25-14-4-2-1-3-5-14/h1-10,12,19H,11H2,(H,25,29)(H,26,27,30)
InChIKeyAFZIGDHSLIEGPR-UHFFFAOYSA-N
MW497.92 g/mol
LogP4.46
Rot. Bonds7

About 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135786844) has the molecular formula C22H16ClN5O5S and a molecular weight of 497.92 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135786844
Molecular FormulaC22H16ClN5O5S
Molecular Weight497.92 g/mol
Exact Mass497.06
IUPAC Name2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N\N=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)NC1=O)Nc1ccccc1
InChIInChI=1S/C22H16ClN5O5S/c23-16-8-6-13(10-17(16)28(31)32)18-9-7-15(33-18)12-24-27-22-26-21(30)19(34-22)11-20(29)25-14-4-2-1-3-5-14/h1-10,12,19H,11H2,(H,25,29)(H,26,27,30)
InChIKeyAFZIGDHSLIEGPR-UHFFFAOYSA-N
XLogP4.46
TPSA139.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.92
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135786970
2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135786933
N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135575280
N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135575297
2-[(2Z)-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135599638
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 135489616
2-[(2E)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135500852
2-[(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135876188
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2E,5S)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852085
2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135711880
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135786844) is 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\N=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is AFZIGDHSLIEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O5S/c23-16-8-6-13(10-17(16)28(31)32)18-9-7-15(33-18)12-24-27-22-26-21(30)19(34-22)11-20(29)25-14-4-2-1-3-5-14/h1-10,12,19H,11H2,(H,25,29)(H,26,27,30).
What are the key properties of 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 497.92 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135786844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).