1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine

C21H24N2O2S — CID 11726538

IUPAC1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine
SMILESCCN(CC)C(C)Cc1c2n(c3ccccc13)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C21H24N2O2S/c1-4-22(5-2)15(3)14-18-16-10-6-8-12-19(16)23-21(18)17-11-7-9-13-20(17)26(23,24)25/h6-13,15H,4-5,14H2,1-3H3
InChIKeyZXKQJHNBSVYQGH-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.13
Rot. Bonds5

About 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine

1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine (PubChem CID 11726538) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine.

Molecular Properties

Compound Name1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine
PubChem CID11726538
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine
SMILESCCN(CC)C(C)Cc1c2n(c3ccccc13)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C21H24N2O2S/c1-4-22(5-2)15(3)14-18-16-10-6-8-12-19(16)23-21(18)17-11-7-9-13-20(17)26(23,24)25/h6-13,15H,4-5,14H2,1-3H3
InChIKeyZXKQJHNBSVYQGH-UHFFFAOYSA-N
XLogP4.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine?
The IUPAC name of 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine (CID 11726538) is 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine.
What is the SMILES notation for 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine?
The canonical SMILES for 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine is CCN(CC)C(C)Cc1c2n(c3ccccc13)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine?
The InChIKey is ZXKQJHNBSVYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-22(5-2)15(3)14-18-16-10-6-8-12-19(16)23-21(18)17-11-7-9-13-20(17)26(23,24)25/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine?
1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine has a molecular weight of 368.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine is sourced from PubChem (CID 11726538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).