ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate

C8H15NO2S — CID 14929805

IUPACethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C)(C)N1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-12-8(2,3)9-6/h6,9H,4-5H2,1-3H3
InChIKeyVIHDGPQAWQBYEZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds2

About ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate

ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14929805) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID14929805
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C)(C)N1
InChIInChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-12-8(2,3)9-6/h6,9H,4-5H2,1-3H3
InChIKeyVIHDGPQAWQBYEZ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 14929805) is ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(C)(C)N1.
What is the InChIKey of ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is VIHDGPQAWQBYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-12-8(2,3)9-6/h6,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
ethyl 2,2-dimethyl-1,3-thiazolidine-4-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-4-carboxylate is sourced from PubChem (CID 14929805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).