1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol

C10H17N3OS — CID 80702083

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
SMILESCCc1nsc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-3-8-11-9(15-12-8)13-6-4-10(2,14)5-7-13/h14H,3-7H2,1-2H3
InChIKeyUDTZYLSHLIHZAN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds2

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol (PubChem CID 80702083) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
PubChem CID80702083
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
SMILESCCc1nsc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-3-8-11-9(15-12-8)13-6-4-10(2,14)5-7-13/h14H,3-7H2,1-2H3
InChIKeyUDTZYLSHLIHZAN-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol (CID 80702083) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol is CCc1nsc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol?
The InChIKey is UDTZYLSHLIHZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-8-11-9(15-12-8)13-6-4-10(2,14)5-7-13/h14H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol has a molecular weight of 227.33 g/mol, XLogP of 1.45, 2 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)-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).