2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid

C11H10N2O4S — CID 42100487

IUPAC2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid
SMILESO=C(O)C/N=C1\SCC(=O)N1c1cccc(O)c1
InChIInChI=1S/C11H10N2O4S/c14-8-3-1-2-7(4-8)13-9(15)6-18-11(13)12-5-10(16)17/h1-4,14H,5-6H2,(H,16,17)/b12-11-
InChIKeyQLXMNKHRSGVEIF-QXMHVHEDSA-N
MW266.28 g/mol
LogP0.91
Rot. Bonds3

About 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid

2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid (PubChem CID 42100487) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid
PubChem CID42100487
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid
SMILESO=C(O)C/N=C1\SCC(=O)N1c1cccc(O)c1
InChIInChI=1S/C11H10N2O4S/c14-8-3-1-2-7(4-8)13-9(15)6-18-11(13)12-5-10(16)17/h1-4,14H,5-6H2,(H,16,17)/b12-11-
InChIKeyQLXMNKHRSGVEIF-QXMHVHEDSA-N
XLogP0.91
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid?
The IUPAC name of 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid (CID 42100487) is 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid.
What is the SMILES notation for 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid?
The canonical SMILES for 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid is O=C(O)C/N=C1\SCC(=O)N1c1cccc(O)c1.
What is the InChIKey of 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid?
The InChIKey is QLXMNKHRSGVEIF-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-8-3-1-2-7(4-8)13-9(15)6-18-11(13)12-5-10(16)17/h1-4,14H,5-6H2,(H,16,17)/b12-11-.
What are the key properties of 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid?
2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetic acid is sourced from PubChem (CID 42100487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).