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

C10H17N3OS — CID 65274879

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCC(C)c1nsc(N2CCC(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3
InChIKeyCNMLOPZLKCLQQH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds2

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

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (PubChem CID 65274879) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
PubChem CID65274879
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCC(C)c1nsc(N2CCC(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3
InChIKeyCNMLOPZLKCLQQH-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (CID 65274879) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is CC(C)c1nsc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The InChIKey is CNMLOPZLKCLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol has a molecular weight of 227.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 65274879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).