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

C10H17N3OS — CID 65275277

IUPAC[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
SMILESCCc1nsc(N2CCCC(CO)C2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-11-10(15-12-9)13-5-3-4-8(6-13)7-14/h8,14H,2-7H2,1H3
InChIKeyJOCVTJPDVMQWPK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.31
Rot. Bonds3

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

[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol (PubChem CID 65275277) 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)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
PubChem CID65275277
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
SMILESCCc1nsc(N2CCCC(CO)C2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-11-10(15-12-9)13-5-3-4-8(6-13)7-14/h8,14H,2-7H2,1H3
InChIKeyJOCVTJPDVMQWPK-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.31
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)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol (CID 65275277) is [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol is CCc1nsc(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol?
The InChIKey is JOCVTJPDVMQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-9-11-10(15-12-9)13-5-3-4-8(6-13)7-14/h8,14H,2-7H2,1H3.
What are the key properties of [1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol?
[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.31, 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)piperidin-3-yl]methanol is sourced from PubChem (CID 65275277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).