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

C5H9NO2S — CID 13451615

IUPAC2-(1,3-thiazolidin-2-yl)acetic acid
SMILESO=C(O)CC1NCCS1
InChIInChI=1S/C5H9NO2S/c7-5(8)3-4-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)
InChIKeyOQOCQIBPTYHJAK-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.12
Rot. Bonds2

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

2-(1,3-thiazolidin-2-yl)acetic acid (PubChem CID 13451615) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-yl)acetic acid
PubChem CID13451615
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name2-(1,3-thiazolidin-2-yl)acetic acid
SMILESO=C(O)CC1NCCS1
InChIInChI=1S/C5H9NO2S/c7-5(8)3-4-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)
InChIKeyOQOCQIBPTYHJAK-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-2-yl)acetic acid?
The IUPAC name of 2-(1,3-thiazolidin-2-yl)acetic acid (CID 13451615) is 2-(1,3-thiazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-thiazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-thiazolidin-2-yl)acetic acid is O=C(O)CC1NCCS1.
What is the InChIKey of 2-(1,3-thiazolidin-2-yl)acetic acid?
The InChIKey is OQOCQIBPTYHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-5(8)3-4-6-1-2-9-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of 2-(1,3-thiazolidin-2-yl)acetic acid?
2-(1,3-thiazolidin-2-yl)acetic acid has a molecular weight of 147.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-yl)acetic acid is sourced from PubChem (CID 13451615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).