5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one

C7H13NO2S — CID 84767000

IUPAC5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)N1CC(CO)SC1=O
InChIInChI=1S/C7H13NO2S/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyFNARTCNDGLRTDC-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.92
Rot. Bonds2

About 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one

5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one (PubChem CID 84767000) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one
PubChem CID84767000
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)N1CC(CO)SC1=O
InChIInChI=1S/C7H13NO2S/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3
InChIKeyFNARTCNDGLRTDC-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
S-Ethyl (3-hydroxypropyl)propylthiocarbamate
CID 85923799
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584
3-(1-Hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
CID 141150519
3-(Hydroxymethyl)-4-methyl-1,3-thiazolidin-2-one
CID 141190228
3-(3-Hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
CID 141264152
3-Ethyl-4-hydroxy-1,3-thiazolidin-2-one
CID 153222709
3-(4-Hydroxybutyl)-1,3-thiazolidin-2-one
CID 174299794
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazolidin-2-one
CID 174527594
3-(2-Hydroxyethyl)-4,5-dimethyl-1,3-thiazolidin-2-one
CID 174540981

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one (CID 84767000) is 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one is CC(C)N1CC(CO)SC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one?
The InChIKey is FNARTCNDGLRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one?
5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-propan-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 84767000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).