[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

C15H20N4S — CID 811228

IUPAC[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C15H20N4S/c16-11-13-6-8-19(9-7-13)15-17-14(18-20-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyQHVHYBYMCSRAEB-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.30
Rot. Bonds4

About [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (PubChem CID 811228) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
PubChem CID811228
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C15H20N4S/c16-11-13-6-8-19(9-7-13)15-17-14(18-20-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyQHVHYBYMCSRAEB-UHFFFAOYSA-N
XLogP2.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (CID 811228) is [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is NCC1CCN(c2nc(Cc3ccccc3)ns2)CC1.
What is the InChIKey of [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The InChIKey is QHVHYBYMCSRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-11-13-6-8-19(9-7-13)15-17-14(18-20-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2.
What are the key properties of [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 811228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).