2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one

C10H19NO2S — CID 15326619

IUPAC2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCCCCC1(C)SCC(=O)N1CCO
InChIInChI=1S/C10H19NO2S/c1-3-4-5-10(2)11(6-7-12)9(13)8-14-10/h12H,3-8H2,1-2H3
InChIKeyZJBHALZSNWQGLC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds5

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

2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 15326619) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID15326619
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCCCCC1(C)SCC(=O)N1CCO
InChIInChI=1S/C10H19NO2S/c1-3-4-5-10(2)11(6-7-12)9(13)8-14-10/h12H,3-8H2,1-2H3
InChIKeyZJBHALZSNWQGLC-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bas 01185310
CID 655188
4-(2-Hydroxypropyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 15326617
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
CID 20648621
S-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]methyl] ethanethioate
CID 129013069
1-[4-(2-Hydroxyethylsulfanyl)pentan-2-yl]pyrrolidin-2-one
CID 163824357
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
2-Butyl-3-(2,3-dihydroxypropyl)-1,3-thiazolidin-4-one
CID 3738981
2-Butyl-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 5008066
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]ethanone
CID 13501312
4-(2-Hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
CID 15326618
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-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one (CID 15326619) is 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one is CCCCC1(C)SCC(=O)N1CCO.
What is the InChIKey of 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZJBHALZSNWQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-5-10(2)11(6-7-12)9(13)8-14-10/h12H,3-8H2,1-2H3.
What are the key properties of 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one?
2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 217.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15326619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).