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

C9H16N4S — CID 65275839

IUPAC1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1c1ncns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-4-2-3-5-13(8)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3
InChIKeyQIXKBGCNJAUOEO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.24
Rot. Bonds2

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

1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine (PubChem CID 65275839) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine
PubChem CID65275839
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1c1ncns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-4-2-3-5-13(8)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3
InChIKeyQIXKBGCNJAUOEO-UHFFFAOYSA-N
XLogP1.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine (CID 65275839) is 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1c1ncns1.
What is the InChIKey of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine?
The InChIKey is QIXKBGCNJAUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(10)8-4-2-3-5-13(8)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine?
1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 65275839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).