3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one

C7H13NO2S — CID 15327108

IUPAC3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)(O)CN1CSCC1=O
InChIInChI=1S/C7H13NO2S/c1-7(2,10)4-8-5-11-3-6(8)9/h10H,3-5H2,1-2H3
InChIKeyCPVNUUSFEAZLSH-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one

3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 15327108) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID15327108
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)(O)CN1CSCC1=O
InChIInChI=1S/C7H13NO2S/c1-7(2,10)4-8-5-11-3-6(8)9/h10H,3-5H2,1-2H3
InChIKeyCPVNUUSFEAZLSH-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
3-(2-Hydroxypropyl)-1,3-thiazolidin-4-one
CID 15327109
3-(2-Hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
CID 23238001
1-(3-Hydroxy-3-methylazetidin-1-yl)-2-methylsulfanylethanone
CID 65953029
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 79290470
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide
CID 79291046
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
CID 79380407
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 79380480
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79380615
2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79381599
2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381845

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one (CID 15327108) is 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)(O)CN1CSCC1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is CPVNUUSFEAZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2,10)4-8-5-11-3-6(8)9/h10H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one?
3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15327108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).