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

C8H15NO2S — CID 59555087

IUPAC5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(CCO)SC1(C)C
InChIInChI=1S/C8H15NO2S/c1-8(2)9(3)7(11)6(12-8)4-5-10/h6,10H,4-5H2,1-3H3
InChIKeyCRYCPZNDGVLWLK-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.68
Rot. Bonds2

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

5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one (PubChem CID 59555087) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one
PubChem CID59555087
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(CCO)SC1(C)C
InChIInChI=1S/C8H15NO2S/c1-8(2)9(3)7(11)6(12-8)4-5-10/h6,10H,4-5H2,1-3H3
InChIKeyCRYCPZNDGVLWLK-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.68
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-trimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one (CID 59555087) is 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one is CN1C(=O)C(CCO)SC1(C)C.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one?
The InChIKey is CRYCPZNDGVLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(2)9(3)7(11)6(12-8)4-5-10/h6,10H,4-5H2,1-3H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one?
5-(2-hydroxyethyl)-2,2,3-trimethyl-1,3-thiazolidin-4-one has a molecular weight of 189.28 g/mol, XLogP of 0.68, 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-trimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 59555087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).