3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

C12H18N2O3S — CID 63764134

IUPAC3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H18N2O3S/c15-10-3-8-1-2-9(4-10)14(8)11(16)5-13-7-18-6-12(13)17/h8-10,15H,1-7H2
InChIKeyTUXSSCMUSUKYRZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.03
Rot. Bonds2

About 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 63764134) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID63764134
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H18N2O3S/c15-10-3-8-1-2-9(4-10)14(8)11(16)5-13-7-18-6-12(13)17/h8-10,15H,1-7H2
InChIKeyTUXSSCMUSUKYRZ-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 63764134) is 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is TUXSSCMUSUKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-10-3-8-1-2-9(4-10)14(8)11(16)5-13-7-18-6-12(13)17/h8-10,15H,1-7H2.
What are the key properties of 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 270.35 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 63764134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).