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

C8H14N4S — CID 13360538

IUPACN-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCCCC2)ns1
InChIInChI=1S/C8H14N4S/c1-9-8-10-7(11-13-8)12-5-3-2-4-6-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyLHPQODMISKJUBR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds2

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

N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 13360538) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID13360538
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCCCC2)ns1
InChIInChI=1S/C8H14N4S/c1-9-8-10-7(11-13-8)12-5-3-2-4-6-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyLHPQODMISKJUBR-UHFFFAOYSA-N
XLogP1.57
TPSA41.05 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine (CID 13360538) is N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine is CNc1nc(N2CCCCC2)ns1.
What is the InChIKey of N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is LHPQODMISKJUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-9-8-10-7(11-13-8)12-5-3-2-4-6-12/h2-6H2,1H3,(H,9,10,11).
What are the key properties of N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine?
N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 13360538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).