2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol

C13H23N3OS — CID 65275445

IUPAC2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESCC(C)(C)c1nsc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-5-4-6-10(16)7-9-17/h10,17H,4-9H2,1-3H3
InChIKeyLZXDFBKRBHNPNI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.58
Rot. Bonds3

About 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol

2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 65275445) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID65275445
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESCC(C)(C)c1nsc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-5-4-6-10(16)7-9-17/h10,17H,4-9H2,1-3H3
InChIKeyLZXDFBKRBHNPNI-UHFFFAOYSA-N
XLogP2.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
1-[1-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
CID 126829539
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanol
CID 113944083
(1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl)methanol
CID 65275277
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 141621183
3-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]propan-1-ol
CID 62706696
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65273211
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
CID 65273452
3-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65273453
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (CID 65275445) is 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is CC(C)(C)c1nsc(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is LZXDFBKRBHNPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-5-4-6-10(16)7-9-17/h10,17H,4-9H2,1-3H3.
What are the key properties of 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 269.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 65275445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).