N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

C15H20N4S — CID 122154059

IUPACN-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(NCc3ccccc3)CC2)n1
InChIInChI=1S/C15H20N4S/c1-12-17-15(20-18-12)19-9-7-14(8-10-19)16-11-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyXEBAEJSYVPXZLK-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.61
Rot. Bonds4

About N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (PubChem CID 122154059) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
PubChem CID122154059
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(NCc3ccccc3)CC2)n1
InChIInChI=1S/C15H20N4S/c1-12-17-15(20-18-12)19-9-7-14(8-10-19)16-11-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyXEBAEJSYVPXZLK-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (CID 122154059) is N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is Cc1nsc(N2CCC(NCc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The InChIKey is XEBAEJSYVPXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-17-15(20-18-12)19-9-7-14(8-10-19)16-11-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3.
What are the key properties of N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 122154059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).