1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol

C11H19N3O2S — CID 114268383

IUPAC1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol
SMILESCOC(C)c1nsc(N2CCCC(C)(O)C2)n1
InChIInChI=1S/C11H19N3O2S/c1-8(16-3)9-12-10(17-13-9)14-6-4-5-11(2,15)7-14/h8,15H,4-7H2,1-3H3
InChIKeyDKCGSKMMGNNZLW-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.60
Rot. Bonds3

About 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol

1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol (PubChem CID 114268383) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol
PubChem CID114268383
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol
SMILESCOC(C)c1nsc(N2CCCC(C)(O)C2)n1
InChIInChI=1S/C11H19N3O2S/c1-8(16-3)9-12-10(17-13-9)14-6-4-5-11(2,15)7-14/h8,15H,4-7H2,1-3H3
InChIKeyDKCGSKMMGNNZLW-UHFFFAOYSA-N
XLogP1.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 136518258
3-(Fluoromethyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155941734
{1-[3-(1-Methylethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl}methanol
CID 65275388
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65273094
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274765
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274817
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274818
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274819
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65274820
[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanol
CID 65275389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol (CID 114268383) is 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol is COC(C)c1nsc(N2CCCC(C)(O)C2)n1.
What is the InChIKey of 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol?
The InChIKey is DKCGSKMMGNNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(16-3)9-12-10(17-13-9)14-6-4-5-11(2,15)7-14/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol?
1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol has a molecular weight of 257.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 114268383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).