3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one

C7H13NO2S — CID 10997560

IUPAC3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one
SMILESCCC(CO)N1CSCC1=O
InChIInChI=1S/C7H13NO2S/c1-2-6(3-9)8-5-11-4-7(8)10/h6,9H,2-5H2,1H3
InChIKeyOMZAIHNWFBVYTA-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds3

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

3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one (PubChem CID 10997560) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one
PubChem CID10997560
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one
SMILESCCC(CO)N1CSCC1=O
InChIInChI=1S/C7H13NO2S/c1-2-6(3-9)8-5-11-4-7(8)10/h6,9H,2-5H2,1H3
InChIKeyOMZAIHNWFBVYTA-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
Diacetylmethioninol
CID 129647021
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648598
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
CID 20648621
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
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-(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 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one (CID 10997560) is 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one is CCC(CO)N1CSCC1=O.
What is the InChIKey of 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is OMZAIHNWFBVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-6(3-9)8-5-11-4-7(8)10/h6,9H,2-5H2,1H3.
What are the key properties of 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one?
3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxybutan-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10997560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).