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

C9H16N4S — CID 65275957

IUPAC[6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1c1ncns1
InChIInChI=1S/C9H16N4S/c1-7-3-2-4-8(5-10)13(7)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3
InChIKeyQDLAPTAKZNCJPQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.24
Rot. Bonds2

About [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine

[6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (PubChem CID 65275957) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
PubChem CID65275957
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name[6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1c1ncns1
InChIInChI=1S/C9H16N4S/c1-7-3-2-4-8(5-10)13(7)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3
InChIKeyQDLAPTAKZNCJPQ-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 [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The IUPAC name of [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (CID 65275957) is [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is CC1CCCC(CN)N1c1ncns1.
What is the InChIKey of [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The InChIKey is QDLAPTAKZNCJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-3-2-4-8(5-10)13(7)9-11-6-12-14-9/h6-8H,2-5,10H2,1H3.
What are the key properties of [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
[6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine 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 [6-methyl-1-(1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 65275957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).