4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile

C12H18N4O2S — CID 71052182

IUPAC4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile
SMILESCC1(C)CC(Oc2nsnc2C#N)CC(C)(C)N1O
InChIInChI=1S/C12H18N4O2S/c1-11(2)5-8(6-12(3,4)16(11)17)18-10-9(7-13)14-19-15-10/h8,17H,5-6H2,1-4H3
InChIKeyQUVBMJOVYWXBBP-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.20
Rot. Bonds2

About 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile

4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile (PubChem CID 71052182) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile.

Molecular Properties

Compound Name4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile
PubChem CID71052182
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile
SMILESCC1(C)CC(Oc2nsnc2C#N)CC(C)(C)N1O
InChIInChI=1S/C12H18N4O2S/c1-11(2)5-8(6-12(3,4)16(11)17)18-10-9(7-13)14-19-15-10/h8,17H,5-6H2,1-4H3
InChIKeyQUVBMJOVYWXBBP-UHFFFAOYSA-N
XLogP2.20
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile?
The IUPAC name of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile (CID 71052182) is 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile.
What is the SMILES notation for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile?
The canonical SMILES for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile is CC1(C)CC(Oc2nsnc2C#N)CC(C)(C)N1O.
What is the InChIKey of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile?
The InChIKey is QUVBMJOVYWXBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-11(2)5-8(6-12(3,4)16(11)17)18-10-9(7-13)14-19-15-10/h8,17H,5-6H2,1-4H3.
What are the key properties of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile?
4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,5-thiadiazole-3-carbonitrile is sourced from PubChem (CID 71052182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).