6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole

C15H11BrN2S — CID 79533596

IUPAC6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole
SMILESBrc1ccc2nc(-c3ccc4c(c3)CCN4)sc2c1
InChIInChI=1S/C15H11BrN2S/c16-11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-4,7-8,17H,5-6H2
InChIKeyGWJDXSNTTDFFNU-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.69
Rot. Bonds1

About 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole

6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole (PubChem CID 79533596) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole
PubChem CID79533596
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole
SMILESBrc1ccc2nc(-c3ccc4c(c3)CCN4)sc2c1
InChIInChI=1S/C15H11BrN2S/c16-11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-4,7-8,17H,5-6H2
InChIKeyGWJDXSNTTDFFNU-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole (CID 79533596) is 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole is Brc1ccc2nc(-c3ccc4c(c3)CCN4)sc2c1.
What is the InChIKey of 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole?
The InChIKey is GWJDXSNTTDFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-4,7-8,17H,5-6H2.
What are the key properties of 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole?
6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole has a molecular weight of 331.24 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 79533596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).