2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine

C19H20N2O3S — CID 10450930

IUPAC2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)c1n2S(=O)(=O)c2ccccc2-1
InChIInChI=1S/C19H20N2O3S/c1-20(2)11-10-14-16-12-13(24-3)8-9-17(16)21-19(14)15-6-4-5-7-18(15)25(21,22)23/h4-9,12H,10-11H2,1-3H3
InChIKeyQNPXKWNLROHCNC-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.97
Rot. Bonds4

About 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine

2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine (PubChem CID 10450930) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine
PubChem CID10450930
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)c1n2S(=O)(=O)c2ccccc2-1
InChIInChI=1S/C19H20N2O3S/c1-20(2)11-10-14-16-12-13(24-3)8-9-17(16)21-19(14)15-6-4-5-7-18(15)25(21,22)23/h4-9,12H,10-11H2,1-3H3
InChIKeyQNPXKWNLROHCNC-UHFFFAOYSA-N
XLogP2.97
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine (CID 10450930) is 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)c1n2S(=O)(=O)c2ccccc2-1.
What is the InChIKey of 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine?
The InChIKey is QNPXKWNLROHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-20(2)11-10-14-16-12-13(24-3)8-9-17(16)21-19(14)15-6-4-5-7-18(15)25(21,22)23/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine?
2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine has a molecular weight of 356.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methoxy-5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10450930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).