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

C10H17ClN4S — CID 63089872

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyLNGRVYWYLMBVPB-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.72
Rot. Bonds3

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

1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 63089872) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID63089872
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyLNGRVYWYLMBVPB-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine (CID 63089872) is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LNGRVYWYLMBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 260.79 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 63089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).