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

C11H19N3OS — CID 65274765

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
SMILESCC(C)(C)c1nsc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(15)7-14/h8,15H,4-7H2,1-3H3
InChIKeyWYDHLSVGLIQCEI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.80
Rot. Bonds1

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

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol (PubChem CID 65274765) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
PubChem CID65274765
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
SMILESCC(C)(C)c1nsc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(15)7-14/h8,15H,4-7H2,1-3H3
InChIKeyWYDHLSVGLIQCEI-UHFFFAOYSA-N
XLogP1.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
CID 107305758
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305759
4-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 113944092
{1-[3-(1-Methylethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl}methanol
CID 65275388
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 141621183
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65273094
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 65273150
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
CID 65273210
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
CID 65274658
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274709

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol (CID 65274765) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol is CC(C)(C)c1nsc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol?
The InChIKey is WYDHLSVGLIQCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(15)7-14/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol has a molecular weight of 241.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 65274765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).