[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol

C11H19N3OS — CID 126835894

IUPAC[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
SMILESCCc1nsc(N2CCCC(C)C2CO)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyCOTIZEDQMPFEAP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.70
Rot. Bonds3

About [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol

[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol (PubChem CID 126835894) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
PubChem CID126835894
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
SMILESCCc1nsc(N2CCCC(C)C2CO)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyCOTIZEDQMPFEAP-UHFFFAOYSA-N
XLogP1.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 96081193
(2S)-4,4-dimethyl-2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 125533336
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
[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-3-yl]ethanol
CID 113944086
(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
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
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65273208
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
CID 65273210

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol (CID 126835894) is [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol is CCc1nsc(N2CCCC(C)C2CO)n1.
What is the InChIKey of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol?
The InChIKey is COTIZEDQMPFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-8(2)9(14)7-15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol?
[1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 126835894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).