6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole

C15H8BrNS3 — CID 46885192

IUPAC6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
SMILESBrc1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1
InChIInChI=1S/C15H8BrNS3/c16-9-3-4-10-14(8-9)20-15(17-10)13-6-5-12(19-13)11-2-1-7-18-11/h1-8H
InChIKeyUULUHIZTWKCREF-UHFFFAOYSA-N
MW378.34 g/mol
LogP6.52
Rot. Bonds2

About 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole

6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole (PubChem CID 46885192) has the molecular formula C15H8BrNS3 and a molecular weight of 378.34 g/mol. Its IUPAC name is 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
PubChem CID46885192
Molecular FormulaC15H8BrNS3
Molecular Weight378.34 g/mol
Exact Mass376.90
IUPAC Name6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
SMILESBrc1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1
InChIInChI=1S/C15H8BrNS3/c16-9-3-4-10-14(8-9)20-15(17-10)13-6-5-12(19-13)11-2-1-7-18-11/h1-8H
InChIKeyUULUHIZTWKCREF-UHFFFAOYSA-N
XLogP6.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole (CID 46885192) is 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole is Brc1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1.
What is the InChIKey of 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The InChIKey is UULUHIZTWKCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNS3/c16-9-3-4-10-14(8-9)20-15(17-10)13-6-5-12(19-13)11-2-1-7-18-11/h1-8H.
What are the key properties of 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole has a molecular weight of 378.34 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 46885192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).