2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one

C7H13NO2S — CID 131154012

IUPAC2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(O)C(=O)N1CCSC1
InChIInChI=1S/C7H13NO2S/c1-2-6(9)7(10)8-3-4-11-5-8/h6,9H,2-5H2,1H3
InChIKeyZAMKEDTVPOEHJA-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one

2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 131154012) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
PubChem CID131154012
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(O)C(=O)N1CCSC1
InChIInChI=1S/C7H13NO2S/c1-2-6(9)7(10)8-3-4-11-5-8/h6,9H,2-5H2,1H3
InChIKeyZAMKEDTVPOEHJA-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one (CID 131154012) is 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one is CCC(O)C(=O)N1CCSC1.
What is the InChIKey of 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is ZAMKEDTVPOEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-6(9)7(10)8-3-4-11-5-8/h6,9H,2-5H2,1H3.
What are the key properties of 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one?
2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 131154012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).