4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile

C16H9N3S — CID 53326831

IUPAC4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile
SMILESN#Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H9N3S/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13/h1-8,10H
InChIKeyWDFOFMVFXHPWRU-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.09
Rot. Bonds1

About 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile

4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile (PubChem CID 53326831) has the molecular formula C16H9N3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile
PubChem CID53326831
Molecular FormulaC16H9N3S
Molecular Weight275.34 g/mol
Exact Mass275.05
IUPAC Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile
SMILESN#Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H9N3S/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13/h1-8,10H
InChIKeyWDFOFMVFXHPWRU-UHFFFAOYSA-N
XLogP4.09
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile?
The IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile (CID 53326831) is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile?
The canonical SMILES for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile is N#Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile?
The InChIKey is WDFOFMVFXHPWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3S/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13/h1-8,10H.
What are the key properties of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile?
4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile has a molecular weight of 275.34 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile is sourced from PubChem (CID 53326831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).