[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine

C8H14N4S — CID 65275502

IUPAC[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncns1
InChIInChI=1S/C8H14N4S/c9-5-7-3-1-2-4-12(7)8-10-6-11-13-8/h6-7H,1-5,9H2
InChIKeyPURIJXLTSOWARQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.86
Rot. Bonds2

About [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine

[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (PubChem CID 65275502) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
PubChem CID65275502
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncns1
InChIInChI=1S/C8H14N4S/c9-5-7-3-1-2-4-12(7)8-10-6-11-13-8/h6-7H,1-5,9H2
InChIKeyPURIJXLTSOWARQ-UHFFFAOYSA-N
XLogP0.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (CID 65275502) is [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is NCC1CCCCN1c1ncns1.
What is the InChIKey of [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The InChIKey is PURIJXLTSOWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-5-7-3-1-2-4-12(7)8-10-6-11-13-8/h6-7H,1-5,9H2.
What are the key properties of [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 65275502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).