2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C24H19N5O5S — CID 18804116

IUPAC2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(c2ccc(O)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O5S/c30-20-11-9-18(10-12-20)28-23(32)21(14-22(31)26-17-6-2-1-3-7-17)35-24(28)27-25-15-16-5-4-8-19(13-16)29(33)34/h1-13,15,21,30H,14H2,(H,26,31)/b25-15+,27-24+
InChIKeyIKQSXAMUKGFMRG-WWNVFSHASA-N
MW489.51 g/mol
LogP4.17
Rot. Bonds7

About 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 18804116) has the molecular formula C24H19N5O5S and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID18804116
Molecular FormulaC24H19N5O5S
Molecular Weight489.51 g/mol
Exact Mass489.11
IUPAC Name2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(c2ccc(O)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O5S/c30-20-11-9-18(10-12-20)28-23(32)21(14-22(31)26-17-6-2-1-3-7-17)35-24(28)27-25-15-16-5-4-8-19(13-16)29(33)34/h1-13,15,21,30H,14H2,(H,26,31)/b25-15+,27-24+
InChIKeyIKQSXAMUKGFMRG-WWNVFSHASA-N
XLogP4.17
TPSA137.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.17
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-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5341047
2-[3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3390739
2-[3-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 2888126
2-[(2E,5S)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852085
2-[(2E)-3-(4-hydroxyphenyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135968340
2-[2-(cinnamylidenehydrazinylidene)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 6798512
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-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135607725
2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135828455
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 18804116) is 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(c2ccc(O)cc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is IKQSXAMUKGFMRG-WWNVFSHASA-N. The full InChI is InChI=1S/C24H19N5O5S/c30-20-11-9-18(10-12-20)28-23(32)21(14-22(31)26-17-6-2-1-3-7-17)35-24(28)27-25-15-16-5-4-8-19(13-16)29(33)34/h1-13,15,21,30H,14H2,(H,26,31)/b25-15+,27-24+.
What are the key properties of 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 489.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 18804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).