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

C13H14N2O3S — CID 3242847

IUPAC2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCOCC4)nc13)OCCO2
InChIInChI=1S/C13H14N2O3S/c1-3-16-4-2-15(1)13-14-9-7-10-11(8-12(9)19-13)18-6-5-17-10/h7-8H,1-6H2
InChIKeyHBBBVOHRUBJOIP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.90
Rot. Bonds1

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

2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (PubChem CID 3242847) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
PubChem CID3242847
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCOCC4)nc13)OCCO2
InChIInChI=1S/C13H14N2O3S/c1-3-16-4-2-15(1)13-14-9-7-10-11(8-12(9)19-13)18-6-5-17-10/h7-8H,1-6H2
InChIKeyHBBBVOHRUBJOIP-UHFFFAOYSA-N
XLogP1.90
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
Diamthazole dihydrochloride
CID 8707
(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
R 47243
CID 128556
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
Diamthazole (hydrochloride)
CID 9551617
2-Hydrazinyl-6,7-dihydro(1,4)dioxino(2,3-f)benzothiazole
CID 2771030

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The IUPAC name of 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (CID 3242847) is 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is c1c2c(cc3sc(N4CCOCC4)nc13)OCCO2.
What is the InChIKey of 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The InChIKey is HBBBVOHRUBJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-16-4-2-15(1)13-14-9-7-10-11(8-12(9)19-13)18-6-5-17-10/h7-8H,1-6H2.
What are the key properties of 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole has a molecular weight of 278.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 3242847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).