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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Related Compounds

2-Oxo-1,3-thiazolidine-5-carboxylic acid
CID 18961044
Ethyl 2-(thiazolidin-2-yl)acetate
CID 294077
1,3-Thiazolidine-5-carboxylic acid
CID 14344103
Carboxymethyl-4-thiazolidinone
CID 20334485
(2R)-2-(carboxymethyl)-1,3-thiazolidine-4-carboxylic acid
CID 70680593
2-[2-(Difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid
CID 10899577
2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
CID 165452010
2,2-Difluoro-3-[(thiolan-3-yl)amino]propanoic acid
CID 165463840
2-(1,3-Thiazolidin-2-yl)acetic acid;hydrochloride
CID 13451616
2-(1,3-Thiazolidin-2-yl)propanoic acid;hydrochloride
CID 13451618
2-(2-Methyl-1,3-thiazolidin-2-yl)acetic acid
CID 13877363
3-Pyrrolidin-3-ylsulfanylpropanoic acid
CID 19736783

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).