2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

C17H15N3O4S — CID 51901526

IUPAC2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESC/C(=N/N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1
InChIInChI=1S/C17H15N3O4S/c1-11(13-8-5-9-24-13)18-19-17-20(12-6-3-2-4-7-12)16(23)14(25-17)10-15(21)22/h2-9,14H,10H2,1H3,(H,21,22)/b18-11-,19-17+/t14-/m1/s1
InChIKeyLPWZTQQUBFICOZ-HTRXKIALSA-N
MW357.39 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 51901526) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID51901526
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESC/C(=N/N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1
InChIInChI=1S/C17H15N3O4S/c1-11(13-8-5-9-24-13)18-19-17-20(12-6-3-2-4-7-12)16(23)14(25-17)10-15(21)22/h2-9,14H,10H2,1H3,(H,21,22)/b18-11-,19-17+/t14-/m1/s1
InChIKeyLPWZTQQUBFICOZ-HTRXKIALSA-N
XLogP2.98
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 51901526) is 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is C/C(=N/N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccco1.
What is the InChIKey of 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is LPWZTQQUBFICOZ-HTRXKIALSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11(13-8-5-9-24-13)18-19-17-20(12-6-3-2-4-7-12)16(23)14(25-17)10-15(21)22/h2-9,14H,10H2,1H3,(H,21,22)/b18-11-,19-17+/t14-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 357.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 51901526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).