5-piperidin-1-yl-1,2,3-benzothiadiazole

C11H13N3S — CID 68690452

IUPAC5-piperidin-1-yl-1,2,3-benzothiadiazole
SMILESc1cc2snnc2cc1N1CCCCC1
InChIInChI=1S/C11H13N3S/c1-2-6-14(7-3-1)9-4-5-11-10(8-9)12-13-15-11/h4-5,8H,1-3,6-7H2
InChIKeyJMQVMKXAZWBWGF-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.68
Rot. Bonds1

About 5-piperidin-1-yl-1,2,3-benzothiadiazole

5-piperidin-1-yl-1,2,3-benzothiadiazole (PubChem CID 68690452) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-piperidin-1-yl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name5-piperidin-1-yl-1,2,3-benzothiadiazole
PubChem CID68690452
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-piperidin-1-yl-1,2,3-benzothiadiazole
SMILESc1cc2snnc2cc1N1CCCCC1
InChIInChI=1S/C11H13N3S/c1-2-6-14(7-3-1)9-4-5-11-10(8-9)12-13-15-11/h4-5,8H,1-3,6-7H2
InChIKeyJMQVMKXAZWBWGF-UHFFFAOYSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1,2,3-benzothiadiazole?
The IUPAC name of 5-piperidin-1-yl-1,2,3-benzothiadiazole (CID 68690452) is 5-piperidin-1-yl-1,2,3-benzothiadiazole.
What is the SMILES notation for 5-piperidin-1-yl-1,2,3-benzothiadiazole?
The canonical SMILES for 5-piperidin-1-yl-1,2,3-benzothiadiazole is c1cc2snnc2cc1N1CCCCC1.
What is the InChIKey of 5-piperidin-1-yl-1,2,3-benzothiadiazole?
The InChIKey is JMQVMKXAZWBWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-6-14(7-3-1)9-4-5-11-10(8-9)12-13-15-11/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-yl-1,2,3-benzothiadiazole?
5-piperidin-1-yl-1,2,3-benzothiadiazole has a molecular weight of 219.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-1,2,3-benzothiadiazole is sourced from PubChem (CID 68690452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).