2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol

C12H21N3O2S — CID 75376989

IUPAC2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol
SMILESCC(C)c1nsc(N2CCCC(OCCO)C2)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)11-13-12(18-14-11)15-5-3-4-10(8-15)17-7-6-16/h9-10,16H,3-8H2,1-2H3
InChIKeyPYKXOVSORCZRKK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol

2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol (PubChem CID 75376989) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol
PubChem CID75376989
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol
SMILESCC(C)c1nsc(N2CCCC(OCCO)C2)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)11-13-12(18-14-11)15-5-3-4-10(8-15)17-7-6-16/h9-10,16H,3-8H2,1-2H3
InChIKeyPYKXOVSORCZRKK-UHFFFAOYSA-N
XLogP1.64
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethyl]morpholine
CID 84585899
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]propan-2-ol
CID 132380406
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65273094
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274765
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274817
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274818
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274819
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274820
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 65274879
1-Methoxy-3-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65275170
1-Methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65275171

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol (CID 75376989) is 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol is CC(C)c1nsc(N2CCCC(OCCO)C2)n1.
What is the InChIKey of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol?
The InChIKey is PYKXOVSORCZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)11-13-12(18-14-11)15-5-3-4-10(8-15)17-7-6-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol?
2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol has a molecular weight of 271.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 75376989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).