5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one

C9H17NO2S — CID 59555254

IUPAC5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(C)(CCO)SC1(C)C
InChIInChI=1S/C9H17NO2S/c1-8(2)10(4)7(12)9(3,13-8)5-6-11/h11H,5-6H2,1-4H3
InChIKeyRYNXEDDRUKMWTF-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.07
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one

5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one (PubChem CID 59555254) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one
PubChem CID59555254
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(C)(CCO)SC1(C)C
InChIInChI=1S/C9H17NO2S/c1-8(2)10(4)7(12)9(3,13-8)5-6-11/h11H,5-6H2,1-4H3
InChIKeyRYNXEDDRUKMWTF-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one (CID 59555254) is 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one is CN1C(=O)C(C)(CCO)SC1(C)C.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one?
The InChIKey is RYNXEDDRUKMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)10(4)7(12)9(3,13-8)5-6-11/h11H,5-6H2,1-4H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one?
5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one has a molecular weight of 203.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,2,3,5-tetramethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 59555254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).