2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole

C13H8N2OS — CID 4154888

IUPAC2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1coc(-c2cn3c(n2)sc2ccccc23)c1
InChIInChI=1S/C13H8N2OS/c1-2-6-12-10(4-1)15-8-9(14-13(15)17-12)11-5-3-7-16-11/h1-8H
InChIKeyWHSFMDIYPWMQDV-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.81
Rot. Bonds1

About 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole

2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 4154888) has the molecular formula C13H8N2OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID4154888
Molecular FormulaC13H8N2OS
Molecular Weight240.29 g/mol
Exact Mass240.04
IUPAC Name2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1coc(-c2cn3c(n2)sc2ccccc23)c1
InChIInChI=1S/C13H8N2OS/c1-2-6-12-10(4-1)15-8-9(14-13(15)17-12)11-5-3-7-16-11/h1-8H
InChIKeyWHSFMDIYPWMQDV-UHFFFAOYSA-N
XLogP3.81
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 4154888) is 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole is c1coc(-c2cn3c(n2)sc2ccccc23)c1.
What is the InChIKey of 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WHSFMDIYPWMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS/c1-2-6-12-10(4-1)15-8-9(14-13(15)17-12)11-5-3-7-16-11/h1-8H.
What are the key properties of 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole?
2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 240.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 4154888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).