2-(5-bromothiophen-2-yl)-1,3-benzothiazole

C11H6BrNS2 — CID 2384712

IUPAC2-(5-bromothiophen-2-yl)-1,3-benzothiazole
SMILESBrc1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C11H6BrNS2/c12-10-6-5-9(14-10)11-13-7-3-1-2-4-8(7)15-11/h1-6H
InChIKeyXTBLWPNBTNYBTN-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.79
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-1,3-benzothiazole

2-(5-bromothiophen-2-yl)-1,3-benzothiazole (PubChem CID 2384712) has the molecular formula C11H6BrNS2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1,3-benzothiazole
PubChem CID2384712
Molecular FormulaC11H6BrNS2
Molecular Weight296.21 g/mol
Exact Mass294.91
IUPAC Name2-(5-bromothiophen-2-yl)-1,3-benzothiazole
SMILESBrc1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C11H6BrNS2/c12-10-6-5-9(14-10)11-13-7-3-1-2-4-8(7)15-11/h1-6H
InChIKeyXTBLWPNBTNYBTN-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-benzothiazole (CID 2384712) is 2-(5-bromothiophen-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1,3-benzothiazole is Brc1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1,3-benzothiazole?
The InChIKey is XTBLWPNBTNYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNS2/c12-10-6-5-9(14-10)11-13-7-3-1-2-4-8(7)15-11/h1-6H.
What are the key properties of 2-(5-bromothiophen-2-yl)-1,3-benzothiazole?
2-(5-bromothiophen-2-yl)-1,3-benzothiazole has a molecular weight of 296.21 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 2384712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).