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

C9H15N3OS — CID 65274887

IUPAC2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncns2)C1
InChIInChI=1S/C9H15N3OS/c13-5-3-8-2-1-4-12(6-8)9-10-7-11-14-9/h7-8,13H,1-6H2
InChIKeyKSHNFXAPOUGOFG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.14
Rot. Bonds3

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

2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol (PubChem CID 65274887) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
PubChem CID65274887
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncns2)C1
InChIInChI=1S/C9H15N3OS/c13-5-3-8-2-1-4-12(6-8)9-10-7-11-14-9/h7-8,13H,1-6H2
InChIKeyKSHNFXAPOUGOFG-UHFFFAOYSA-N
XLogP1.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
CID 65270092
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
5-[3-(chloromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 65277809
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 130742356
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol (CID 65274887) is 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol is OCCC1CCCN(c2ncns2)C1.
What is the InChIKey of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol?
The InChIKey is KSHNFXAPOUGOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-5-3-8-2-1-4-12(6-8)9-10-7-11-14-9/h7-8,13H,1-6H2.
What are the key properties of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol?
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 65274887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).