2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole

C14H16N2O2S — CID 3240968

IUPAC2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCCCC4)nc13)OCCO2
InChIInChI=1S/C14H16N2O2S/c1-2-4-16(5-3-1)14-15-10-8-11-12(9-13(10)19-14)18-7-6-17-11/h8-9H,1-7H2
InChIKeyWKJKDHHHALERFT-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.06
Rot. Bonds1

About 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole

2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (PubChem CID 3240968) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
PubChem CID3240968
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCCCC4)nc13)OCCO2
InChIInChI=1S/C14H16N2O2S/c1-2-4-16(5-3-1)14-15-10-8-11-12(9-13(10)19-14)18-7-6-17-11/h8-9H,1-7H2
InChIKeyWKJKDHHHALERFT-UHFFFAOYSA-N
XLogP3.06
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diamthazole
CID 8708
10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
Benzothiazole, 5,6-dimethoxy-2-methyl-
CID 112829
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
(2S)-N-(6,7-Dihydro[1,4]dioxino[2,3-f]benzothiazol-2-yl)-1-(methylsulfonyl)-2-piperidinecarboxamide
CID 25881665
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
CID 566936
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
4,6-Dioxa-10-thia-12-azatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,11-tetraen-11-amine
CID 2049900
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 44086933

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The IUPAC name of 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (CID 3240968) is 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is c1c2c(cc3sc(N4CCCCC4)nc13)OCCO2.
What is the InChIKey of 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The InChIKey is WKJKDHHHALERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-4-16(5-3-1)14-15-10-8-11-12(9-13(10)19-14)18-7-6-17-11/h8-9H,1-7H2.
What are the key properties of 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole has a molecular weight of 276.36 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 3240968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).