2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid

C5H7NO3S — CID 5147257

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1CSCC1=O
InChIInChI=1S/C5H7NO3S/c7-4-2-10-3-6(4)1-5(8)9/h1-3H2,(H,8,9)
InChIKeyHZPPUQAAZNDUAL-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.40
Rot. Bonds2

About 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid

2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 5147257) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid
PubChem CID5147257
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1CSCC1=O
InChIInChI=1S/C5H7NO3S/c7-4-2-10-3-6(4)1-5(8)9/h1-3H2,(H,8,9)
InChIKeyHZPPUQAAZNDUAL-UHFFFAOYSA-N
XLogP-0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid (CID 5147257) is 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1CSCC1=O.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is HZPPUQAAZNDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c7-4-2-10-3-6(4)1-5(8)9/h1-3H2,(H,8,9).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid?
2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 5147257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).