3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one

C11H21NO3S — CID 3802817

IUPAC3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CC(O)CO
InChIInChI=1S/C11H21NO3S/c1-3-8(4-2)11-12(5-9(14)6-13)10(15)7-16-11/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyPGKGYFIJWNGBLI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.68
Rot. Bonds6

About 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one

3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one (PubChem CID 3802817) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
PubChem CID3802817
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CC(O)CO
InChIInChI=1S/C11H21NO3S/c1-3-8(4-2)11-12(5-9(14)6-13)10(15)7-16-11/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyPGKGYFIJWNGBLI-UHFFFAOYSA-N
XLogP0.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-1-((3R,4S)-3,4-dihydroxypyrrolidin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 79404216
3-Hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
CID 123921706
1-[(4R)-4-hydroxy-2-methylsulfanylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 154672934
3-[2-(2-Hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3728626
2-Butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one
CID 3738981
3-(2-Hydroxy-3-methoxypropyl)-2-propan-2-yl-1,3-thiazolidin-4-one
CID 15327106
3-[(2S)-2,3-dihydroxypropyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 23797754
2-butyl-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
CID 23850187
2-Tert-butylsulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916209
2-Butylsulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62918086
1-(3-Hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone
CID 62918622
N-(2-hydroxy-3-methoxypropyl)-N-methylthiolane-3-carboxamide
CID 64163854

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one (CID 3802817) is 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one is CCC(CC)C1SCC(=O)N1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
The InChIKey is PGKGYFIJWNGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-8(4-2)11-12(5-9(14)6-13)10(15)7-16-11/h8-9,11,13-14H,3-7H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one?
3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one has a molecular weight of 247.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3802817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).