1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

C8H13N3OS — CID 65273150

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCc1nsc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3
InChIKeyIDIYQIRXRNGBIJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (PubChem CID 65273150) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
PubChem CID65273150
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCc1nsc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3
InChIKeyIDIYQIRXRNGBIJ-UHFFFAOYSA-N
XLogP0.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (CID 65273150) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is Cc1nsc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The InChIKey is IDIYQIRXRNGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-4-2-7(12)3-5-11/h7,12H,2-5H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol has a molecular weight of 199.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 65273150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).