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

C8H14N4OS — CID 66279901

IUPAC[1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)n1
InChIInChI=1S/C8H14N4OS/c9-7-10-8(14-11-7)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2,(H2,9,11)
InChIKeyYYODPMSZQBHWOJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.47
Rot. Bonds2

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

[1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol (PubChem CID 66279901) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
PubChem CID66279901
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name[1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)n1
InChIInChI=1S/C8H14N4OS/c9-7-10-8(14-11-7)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2,(H2,9,11)
InChIKeyYYODPMSZQBHWOJ-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol (CID 66279901) is [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol is Nc1nsc(N2CCCCC2CO)n1.
What is the InChIKey of [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The InChIKey is YYODPMSZQBHWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-7-10-8(14-11-7)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2,(H2,9,11).
What are the key properties of [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
[1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol has a molecular weight of 214.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 66279901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).