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

C11H20N4S — CID 62931824

IUPAC4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCC(C)(C)CC1
InChIInChI=1S/C11H20N4S/c1-11(2)4-6-15(7-5-11)8-9-10(12-3)16-14-13-9/h12H,4-8H2,1-3H3
InChIKeyYEPFSLCMSLBYJL-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.20
Rot. Bonds3

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

4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62931824) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
PubChem CID62931824
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCC(C)(C)CC1
InChIInChI=1S/C11H20N4S/c1-11(2)4-6-15(7-5-11)8-9-10(12-3)16-14-13-9/h12H,4-8H2,1-3H3
InChIKeyYEPFSLCMSLBYJL-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine (CID 62931824) is 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN1CCC(C)(C)CC1.
What is the InChIKey of 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is YEPFSLCMSLBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-11(2)4-6-15(7-5-11)8-9-10(12-3)16-14-13-9/h12H,4-8H2,1-3H3.
What are the key properties of 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine?
4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).