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

C8H15NO2S — CID 142649398

IUPACethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCCOC(=O)N1CSC(C)(C)C1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)9-5-8(2,3)12-6-9/h4-6H2,1-3H3
InChIKeyZCHHTPLMPSSAAP-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.93
Rot. Bonds1

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

ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 142649398) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID142649398
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCCOC(=O)N1CSC(C)(C)C1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)9-5-8(2,3)12-6-9/h4-6H2,1-3H3
InChIKeyZCHHTPLMPSSAAP-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate (CID 142649398) is ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate is CCOC(=O)N1CSC(C)(C)C1.
What is the InChIKey of ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is ZCHHTPLMPSSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-11-7(10)9-5-8(2,3)12-6-9/h4-6H2,1-3H3.
What are the key properties of ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 189.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 142649398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).