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

C12H19N3OS — CID 65274602

IUPAC2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2
InChIKeyUPGKYBZVNNVPHO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

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

2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 65274602) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID65274602
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2
InChIKeyUPGKYBZVNNVPHO-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
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
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
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518
2-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274600
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (CID 65274602) is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is UPGKYBZVNNVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2.
What are the key properties of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 65274602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).