4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine

C13H24N4S — CID 55046251

IUPAC4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CC(C)CC(C)C1
InChIInChI=1S/C13H24N4S/c1-4-5-14-13-12(15-16-18-13)9-17-7-10(2)6-11(3)8-17/h10-11,14H,4-9H2,1-3H3
InChIKeyXISSMDDGTQDYDE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.84
Rot. Bonds5

About 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine

4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046251) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID55046251
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CC(C)CC(C)C1
InChIInChI=1S/C13H24N4S/c1-4-5-14-13-12(15-16-18-13)9-17-7-10(2)6-11(3)8-17/h10-11,14H,4-9H2,1-3H3
InChIKeyXISSMDDGTQDYDE-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 55046251) is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CC(C)CC(C)C1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is XISSMDDGTQDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-5-14-13-12(15-16-18-13)9-17-7-10(2)6-11(3)8-17/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).