2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate

C11H9N2O4S- — CID 135843621

IUPAC2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O
InChIInChI=1S/C11H10N2O4S/c14-7-3-1-2-6(4-7)12-11-13-10(17)8(18-11)5-9(15)16/h1-4,8,14H,5H2,(H,15,16)(H,12,13,17)/p-1/t8-/m0/s1
InChIKeyOKKFFWWAXGDCPA-QMMMGPOBSA-M
MW265.27 g/mol
LogP-0.25
Rot. Bonds3

About 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate

2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 135843621) has the molecular formula C11H9N2O4S- and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID135843621
Molecular FormulaC11H9N2O4S-
Molecular Weight265.27 g/mol
Exact Mass265.03
IUPAC Name2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O
InChIInChI=1S/C11H10N2O4S/c14-7-3-1-2-6(4-7)12-11-13-10(17)8(18-11)5-9(15)16/h1-4,8,14H,5H2,(H,15,16)(H,12,13,17)/p-1/t8-/m0/s1
InChIKeyOKKFFWWAXGDCPA-QMMMGPOBSA-M
XLogP-0.25
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135843620
N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135468917
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135858256
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135775065
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235
N-(2,6-dimethylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135833997
2-[(2E,5S)-2-[(Z)-(3-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852167
2-[(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 142410381
N-(2,4-difluorophenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135749167
2-[(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135830969
N-(2,3-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136704992
2-[(5S)-2-(3-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
CID 135704874

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 135843621) is 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate is O=C([O-])C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O.
What is the InChIKey of 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is OKKFFWWAXGDCPA-QMMMGPOBSA-M. The full InChI is InChI=1S/C11H10N2O4S/c14-7-3-1-2-6(4-7)12-11-13-10(17)8(18-11)5-9(15)16/h1-4,8,14H,5H2,(H,15,16)(H,12,13,17)/p-1/t8-/m0/s1.
What are the key properties of 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate?
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 265.27 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 135843621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).