2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole

C19H19N3O2S — CID 3242329

IUPAC2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-4-14(5-3-1)21-6-8-22(9-7-21)19-20-15-12-16-17(13-18(15)25-19)24-11-10-23-16/h1-5,12-13H,6-11H2
InChIKeyLSWHRRHIYUWTCW-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.39
Rot. Bonds2

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

2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (PubChem CID 3242329) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
PubChem CID3242329
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-4-14(5-3-1)21-6-8-22(9-7-21)19-20-15-12-16-17(13-18(15)25-19)24-11-10-23-16/h1-5,12-13H,6-11H2
InChIKeyLSWHRRHIYUWTCW-UHFFFAOYSA-N
XLogP3.39
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
(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
2-Hydrazinyl-6,7-dihydro(1,4)dioxino(2,3-f)benzothiazole
CID 2771030
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 44086933
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)cyclohexanecarboxamide
CID 2330217
6-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3236538
4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 3237073

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (CID 3242329) is 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The InChIKey is LSWHRRHIYUWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-4-14(5-3-1)21-6-8-22(9-7-21)19-20-15-12-16-17(13-18(15)25-19)24-11-10-23-16/h1-5,12-13H,6-11H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole has a molecular weight of 353.45 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 3242329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).