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

C9H16N4S — CID 6618932

IUPAC5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CC(C)CN(c2nnc(N)s2)C1
InChIInChI=1S/C9H16N4S/c1-6-3-7(2)5-13(4-6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyPZABURDJMZNJOA-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.60
Rot. Bonds1

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

5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 6618932) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID6618932
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CC(C)CN(c2nnc(N)s2)C1
InChIInChI=1S/C9H16N4S/c1-6-3-7(2)5-13(4-6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyPZABURDJMZNJOA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (CID 6618932) is 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is CC1CC(C)CN(c2nnc(N)s2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PZABURDJMZNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-3-7(2)5-13(4-6)9-12-11-8(10)14-9/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6618932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).