2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid

C15H16N4O5S — CID 135798610

IUPAC2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)O
InChIInChI=1S/C15H16N4O5S/c1-8(14(23)24)17-12(21)6-11-13(22)18-15(25-11)19-16-7-9-4-2-3-5-10(9)20/h2-5,7-8,11,20H,6H2,1H3,(H,17,21)(H,23,24)(H,18,19,22)/b16-7+
InChIKeyFFYKEAGHQDKEIM-FRKPEAEDSA-N
MW364.38 g/mol
LogP0.29
Rot. Bonds6

About 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid

2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid (PubChem CID 135798610) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
PubChem CID135798610
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)O
InChIInChI=1S/C15H16N4O5S/c1-8(14(23)24)17-12(21)6-11-13(22)18-15(25-11)19-16-7-9-4-2-3-5-10(9)20/h2-5,7-8,11,20H,6H2,1H3,(H,17,21)(H,23,24)(H,18,19,22)/b16-7+
InChIKeyFFYKEAGHQDKEIM-FRKPEAEDSA-N
XLogP0.29
TPSA140.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-[(2Z,5S)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135858296
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308
2-[[2-[2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135417432
(2S)-2-[[2-[(2E,5R)-2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135816842
4-[[2-[(2Z,5R)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 135827584
4-[[2-[2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 172967180
2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135488410
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
(2E,5R)-5-benzyl-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851356
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135588596
2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate
CID 135852079

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid (CID 135798610) is 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid is CC(NC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)O.
What is the InChIKey of 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid?
The InChIKey is FFYKEAGHQDKEIM-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-8(14(23)24)17-12(21)6-11-13(22)18-15(25-11)19-16-7-9-4-2-3-5-10(9)20/h2-5,7-8,11,20H,6H2,1H3,(H,17,21)(H,23,24)(H,18,19,22)/b16-7+.
What are the key properties of 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid?
2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid has a molecular weight of 364.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 135798610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).