5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

C9H16N4S — CID 66280995

IUPAC5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1(C)CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H16N4S/c1-9(2)3-5-13(6-4-9)8-11-7(10)12-14-8/h3-6H2,1-2H3,(H2,10,12)
InChIKeyHGGRQXFQOFRUIP-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.75
Rot. Bonds1

About 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66280995) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66280995
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1(C)CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H16N4S/c1-9(2)3-5-13(6-4-9)8-11-7(10)12-14-8/h3-6H2,1-2H3,(H2,10,12)
InChIKeyHGGRQXFQOFRUIP-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine (CID 66280995) is 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine is CC1(C)CCN(c2nc(N)ns2)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is HGGRQXFQOFRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(2)3-5-13(6-4-9)8-11-7(10)12-14-8/h3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66280995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).