methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate

C10H19NO2S — CID 15275528

IUPACmethyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate
SMILESCOC(=O)CC1NC(C)(C)SC1(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2)7(6-8(12)13-5)11-10(3,4)14-9/h7,11H,6H2,1-5H3
InChIKeyGHRLZAJHXOLHKG-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds2

About methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate

methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate (PubChem CID 15275528) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate
PubChem CID15275528
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate
SMILESCOC(=O)CC1NC(C)(C)SC1(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2)7(6-8(12)13-5)11-10(3,4)14-9/h7,11H,6H2,1-5H3
InChIKeyGHRLZAJHXOLHKG-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate?
The IUPAC name of methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate (CID 15275528) is methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate?
The canonical SMILES for methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate is COC(=O)CC1NC(C)(C)SC1(C)C.
What is the InChIKey of methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate?
The InChIKey is GHRLZAJHXOLHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)7(6-8(12)13-5)11-10(3,4)14-9/h7,11H,6H2,1-5H3.
What are the key properties of methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate?
methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate has a molecular weight of 217.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)acetate is sourced from PubChem (CID 15275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).