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

C11H10N2O4S — CID 135435959

IUPAC2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1S/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)
InChIKeyOKKFFWWAXGDCPA-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.09
Rot. Bonds3

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

2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 135435959) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID135435959
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1S/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)
InChIKeyOKKFFWWAXGDCPA-UHFFFAOYSA-N
XLogP1.09
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 135435959) is 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1S/C(=N/c2cccc(O)c2)NC1=O.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is OKKFFWWAXGDCPA-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 135435959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).