5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 5307348

IUPAC5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(C)N1c1nnc(N)s1
InChIInChI=1S/C9H16N4S/c1-6-4-3-5-7(2)13(6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDJQXUFKAVNHPLD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.89
Rot. Bonds1

About 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine

5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 5307348) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID5307348
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(C)N1c1nnc(N)s1
InChIInChI=1S/C9H16N4S/c1-6-4-3-5-7(2)13(6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDJQXUFKAVNHPLD-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (CID 5307348) is 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is CC1CCCC(C)N1c1nnc(N)s1.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DJQXUFKAVNHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-4-3-5-7(2)13(6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).