2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C17H14N2OS — CID 83091886

IUPAC2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2oc(-c3cn4c5c(sc4n3)CCCC5)cc2c1
InChIInChI=1S/C17H14N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyDGSTXTJHDDZUPQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.69
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 83091886) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID83091886
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2oc(-c3cn4c5c(sc4n3)CCCC5)cc2c1
InChIInChI=1S/C17H14N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyDGSTXTJHDDZUPQ-UHFFFAOYSA-N
XLogP4.69
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 83091886) is 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is c1ccc2oc(-c3cn4c5c(sc4n3)CCCC5)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is DGSTXTJHDDZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1,3,5,7,9-10H,2,4,6,8H2.
What are the key properties of 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 294.38 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 83091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).