ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate

C10H19NO2S — CID 119090707

IUPACethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate
SMILESCCCC1(CC(=O)OCC)NCCS1
InChIInChI=1S/C10H19NO2S/c1-3-5-10(11-6-7-14-10)8-9(12)13-4-2/h11H,3-8H2,1-2H3
InChIKeyVMQDEFHJUNGPKX-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate

ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate (PubChem CID 119090707) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate
PubChem CID119090707
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate
SMILESCCCC1(CC(=O)OCC)NCCS1
InChIInChI=1S/C10H19NO2S/c1-3-5-10(11-6-7-14-10)8-9(12)13-4-2/h11H,3-8H2,1-2H3
InChIKeyVMQDEFHJUNGPKX-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-propyl-1,3-thiazolidine-2-carboxylate
CID 54553440
ethyl 3-(2-methyl-1,3-dithiolan-2-yl)propanoate
CID 576648
ethyl 2-(2-methyl-1-oxo-1,3-dithiolan-2-yl)acetate
CID 101008152
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
diethyl 2-[1-(2-ethoxy-2-oxoethyl)-2,2-dimethylcyclopropyl]propanedioate
CID 12709518
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate (CID 119090707) is ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate is CCCC1(CC(=O)OCC)NCCS1.
What is the InChIKey of ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate?
The InChIKey is VMQDEFHJUNGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-5-10(11-6-7-14-10)8-9(12)13-4-2/h11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate?
ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate has a molecular weight of 217.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate is sourced from PubChem (CID 119090707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).