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

C9H15N3OS — CID 65275444

IUPAC2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ncns1
InChIInChI=1S/C9H15N3OS/c13-6-4-8-3-1-2-5-12(8)9-10-7-11-14-9/h7-8,13H,1-6H2
InChIKeyRWBUYBXFUVPBSR-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.28
Rot. Bonds3

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

2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 65275444) 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-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID65275444
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ncns1
InChIInChI=1S/C9H15N3OS/c13-6-4-8-3-1-2-5-12(8)9-10-7-11-14-9/h7-8,13H,1-6H2
InChIKeyRWBUYBXFUVPBSR-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (CID 65275444) is 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1ncns1.
What is the InChIKey of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is RWBUYBXFUVPBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-6-4-8-3-1-2-5-12(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-2-yl]ethanol?
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.28, 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-2-yl]ethanol is sourced from PubChem (CID 65275444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).