2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C16H18N4O4S — CID 135522439

IUPAC2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=NN=Cc2ccc(N3CCOCC3)cc2)NC1=O
InChIInChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23)
InChIKeyFSEJBKICUFFJRC-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 135522439) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID135522439
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=NN=Cc2ccc(N3CCOCC3)cc2)NC1=O
InChIInChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23)
InChIKeyFSEJBKICUFFJRC-UHFFFAOYSA-N
XLogP0.92
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 135522439) is 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1SC(=NN=Cc2ccc(N3CCOCC3)cc2)NC1=O.
What is the InChIKey of 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is FSEJBKICUFFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23).
What are the key properties of 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 362.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 135522439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).