6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole

C13H14N2O2S — CID 3243735

IUPAC6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCCCC4)nc13)OCO2
InChIInChI=1S/C13H14N2O2S/c1-2-4-15(5-3-1)13-14-9-6-10-11(17-8-16-10)7-12(9)18-13/h6-7H,1-5,8H2
InChIKeyONDYVKVDWDODQE-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.02
Rot. Bonds1

About 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole

6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole (PubChem CID 3243735) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
PubChem CID3243735
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCCCC4)nc13)OCO2
InChIInChI=1S/C13H14N2O2S/c1-2-4-15(5-3-1)13-14-9-6-10-11(17-8-16-10)7-12(9)18-13/h6-7H,1-5,8H2
InChIKeyONDYVKVDWDODQE-UHFFFAOYSA-N
XLogP3.02
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The IUPAC name of 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole (CID 3243735) is 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole.
What is the SMILES notation for 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The canonical SMILES for 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole is c1c2c(cc3sc(N4CCCCC4)nc13)OCO2.
What is the InChIKey of 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The InChIKey is ONDYVKVDWDODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-4-15(5-3-1)13-14-9-6-10-11(17-8-16-10)7-12(9)18-13/h6-7H,1-5,8H2.
What are the key properties of 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole has a molecular weight of 262.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole is sourced from PubChem (CID 3243735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).