ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate

C8H15NO2S — CID 10420016

IUPACethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1CNC(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-9-8(2,3)12-6/h6,9H,4-5H2,1-3H3
InChIKeyDYTPTXMJFMVTEM-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds2

About ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate

ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate (PubChem CID 10420016) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
PubChem CID10420016
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1CNC(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-9-8(2,3)12-6/h6,9H,4-5H2,1-3H3
InChIKeyDYTPTXMJFMVTEM-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-amino-2-methylcyclopropane-1-carboxylate
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ethyl (1S,3S,5S)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
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diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
ethyl (4S)-3-[[(4S)-4-ethoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-3-yl]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11101222
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 3-hydroxy-3-methylpyrrolidine-2-carboxylate
CID 10877618
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
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ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate (CID 10420016) is ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate is CCOC(=O)C1CNC(C)(C)S1.
What is the InChIKey of ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The InChIKey is DYTPTXMJFMVTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-9-8(2,3)12-6/h6,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate is sourced from PubChem (CID 10420016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).