ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate

C7H13NO2S — CID 70429766

IUPACethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1NCCS1
InChIInChI=1S/C7H13NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZANISHQWRNLICS-LURJTMIESA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds3

About ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate

ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate (PubChem CID 70429766) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
PubChem CID70429766
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Nameethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1NCCS1
InChIInChI=1S/C7H13NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZANISHQWRNLICS-LURJTMIESA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848
ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
CID 55278769
ethyl 2-[2-chloro-4-(1,3-thiazolidin-2-ylmethyl)phenoxy]acetate
CID 10087087
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
ethyl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 730145
2-(1,3-thiazolidin-2-yl)acetaldehyde
CID 21422875
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
ethyl 2-[(2R,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetate
CID 10900110
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
1,3-thiazolidin-2-ylmethyl formate;hydrochloride
CID 174790916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate (CID 70429766) is ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate is CCOC(=O)C[C@H]1NCCS1.
What is the InChIKey of ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate?
The InChIKey is ZANISHQWRNLICS-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate?
ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate has a molecular weight of 175.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate is sourced from PubChem (CID 70429766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).