4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol

C15H9BrN2OS — CID 12831516

IUPAC4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
SMILESOc1ccc(-c2nc3sc4ccccc4n3c2Br)cc1
InChIInChI=1S/C15H9BrN2OS/c16-14-13(9-5-7-10(19)8-6-9)17-15-18(14)11-3-1-2-4-12(11)20-15/h1-8,19H
InChIKeyUPNFDUPLTIXTIC-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.68
Rot. Bonds1

About 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol

4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol (PubChem CID 12831516) has the molecular formula C15H9BrN2OS and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
PubChem CID12831516
Molecular FormulaC15H9BrN2OS
Molecular Weight345.22 g/mol
Exact Mass343.96
IUPAC Name4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
SMILESOc1ccc(-c2nc3sc4ccccc4n3c2Br)cc1
InChIInChI=1S/C15H9BrN2OS/c16-14-13(9-5-7-10(19)8-6-9)17-15-18(14)11-3-1-2-4-12(11)20-15/h1-8,19H
InChIKeyUPNFDUPLTIXTIC-UHFFFAOYSA-N
XLogP4.68
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The IUPAC name of 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol (CID 12831516) is 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol.
What is the SMILES notation for 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The canonical SMILES for 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol is Oc1ccc(-c2nc3sc4ccccc4n3c2Br)cc1.
What is the InChIKey of 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The InChIKey is UPNFDUPLTIXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2OS/c16-14-13(9-5-7-10(19)8-6-9)17-15-18(14)11-3-1-2-4-12(11)20-15/h1-8,19H.
What are the key properties of 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol has a molecular weight of 345.22 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol is sourced from PubChem (CID 12831516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).