ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate

C7H13NO2S — CID 155822652

IUPACethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CSC(C)N1
InChIInChI=1S/C7H13NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-6,8H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyQJUCAYHPLVZBJP-PRJDIBJQSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds2

About ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate

ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 155822652) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID155822652
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Nameethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CSC(C)N1
InChIInChI=1S/C7H13NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-6,8H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyQJUCAYHPLVZBJP-PRJDIBJQSA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 155822652) is ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@H]1CSC(C)N1.
What is the InChIKey of ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is QJUCAYHPLVZBJP-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-6,8H,3-4H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate?
ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 175.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 155822652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).