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

C10H17ClN4S — CID 43408457

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H17ClN4S/c1-14-5-3-8(4-6-14)15(2)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyBTRWOVRNRONURQ-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.72
Rot. Bonds3

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

N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43408457) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43408457
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H17ClN4S/c1-14-5-3-8(4-6-14)15(2)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyBTRWOVRNRONURQ-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 N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine (CID 43408457) is N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2nnsc2Cl)CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is BTRWOVRNRONURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-14-5-3-8(4-6-14)15(2)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-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 N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43408457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).