2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one

C10H19NO3S — CID 3738981

IUPAC2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1CC(O)CO
InChIInChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3
InChIKeyBVRPBAYGSINIHQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.43
Rot. Bonds6

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

2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3738981) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID3738981
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SCC(=O)N1CC(O)CO
InChIInChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3
InChIKeyBVRPBAYGSINIHQ-UHFFFAOYSA-N
XLogP0.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.43
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
4-(2-Hydroxypropyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 15326617
1-(3-Hydroxypyrrolidin-1-yl)-2-(thiolan-1-ium-1-yl)ethanone
CID 23535002
S-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]methyl] ethanethioate
CID 129013069
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
4-[(2R)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203178
3-(2,3-Dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3802817
2-Butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 5008066
2-Butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
CID 15326619
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one (CID 3738981) is 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one is CCCCC1SCC(=O)N1CC(O)CO.
What is the InChIKey of 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is BVRPBAYGSINIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-3-4-10-11(5-8(13)6-12)9(14)7-15-10/h8,10,12-13H,2-7H2,1H3.
What are the key properties of 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one?
2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3738981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).