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

C12H21N3OS — CID 65274600

IUPAC2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESCCCc1nsc(N2CCCCC2CCO)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-4-3-6-10(15)7-9-16/h10,16H,2-9H2,1H3
InChIKeyJXVVTUMPNSZTAT-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.23
Rot. Bonds5

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

2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 65274600) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID65274600
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESCCCc1nsc(N2CCCCC2CCO)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-4-3-6-10(15)7-9-16/h10,16H,2-9H2,1H3
InChIKeyJXVVTUMPNSZTAT-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (CID 65274600) is 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is CCCc1nsc(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is JXVVTUMPNSZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-4-3-6-10(15)7-9-16/h10,16H,2-9H2,1H3.
What are the key properties of 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 255.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 65274600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).