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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Related Compounds

2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992394
[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
CID 107305663
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-[3-(1-Methylethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl}methanol
CID 65275388
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 141621183
(2R)-2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52391485
(2S)-2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52391486

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).