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

C5H6N2O3S — CID 135399113

IUPAC2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid
SMILESO=C(O)C/N=C1/NC(=O)CS1
InChIInChI=1S/C5H6N2O3S/c8-3-2-11-5(7-3)6-1-4(9)10/h1-2H2,(H,9,10)(H,6,7,8)
InChIKeyUNBGEBUMRRCYMS-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.71
Rot. Bonds2

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

2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid (PubChem CID 135399113) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid
PubChem CID135399113
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid
SMILESO=C(O)C/N=C1/NC(=O)CS1
InChIInChI=1S/C5H6N2O3S/c8-3-2-11-5(7-3)6-1-4(9)10/h1-2H2,(H,9,10)(H,6,7,8)
InChIKeyUNBGEBUMRRCYMS-UHFFFAOYSA-N
XLogP-0.71
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid?
The IUPAC name of 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid (CID 135399113) is 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid.
What is the SMILES notation for 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid?
The canonical SMILES for 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid is O=C(O)C/N=C1/NC(=O)CS1.
What is the InChIKey of 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid?
The InChIKey is UNBGEBUMRRCYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-3-2-11-5(7-3)6-1-4(9)10/h1-2H2,(H,9,10)(H,6,7,8).
What are the key properties of 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid?
2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid has a molecular weight of 174.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetic acid is sourced from PubChem (CID 135399113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).