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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Related Compounds

1,3-Dioxolo[4,5-f]benzothiazole, 6-methyl-
CID 699474
10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
2-(1-(4-Piperonyl)piperazinyl)benzothiazole
CID 127902
Benzothiazole, 5,6-dimethoxy-2-methyl-
CID 112829
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
CID 7202928
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7086360
1-[2-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide
CID 7189860
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 7202949
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
2-Hydrazinyl-6,7-dihydro(1,4)dioxino(2,3-f)benzothiazole
CID 2771030

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).