benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile

C15H6N4S — CID 752479

IUPACbenzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile
SMILESN#Cc1cc2sc3nc4ccccc4n3c2cc1C#N
InChIInChI=1S/C15H6N4S/c16-7-9-5-13-14(6-10(9)8-17)20-15-18-11-3-1-2-4-12(11)19(13)15/h1-6H
InChIKeyGBFNURCIQMLFRU-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.45
Rot. Bonds

About benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile

benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile (PubChem CID 752479) has the molecular formula C15H6N4S and a molecular weight of 274.31 g/mol. Its IUPAC name is benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile.

Molecular Properties

Compound Namebenzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile
PubChem CID752479
Molecular FormulaC15H6N4S
Molecular Weight274.31 g/mol
Exact Mass274.03
IUPAC Namebenzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile
SMILESN#Cc1cc2sc3nc4ccccc4n3c2cc1C#N
InChIInChI=1S/C15H6N4S/c16-7-9-5-13-14(6-10(9)8-17)20-15-18-11-3-1-2-4-12(11)19(13)15/h1-6H
InChIKeyGBFNURCIQMLFRU-UHFFFAOYSA-N
XLogP3.45
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile?
The IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile (CID 752479) is benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile.
What is the SMILES notation for benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile?
The canonical SMILES for benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile is N#Cc1cc2sc3nc4ccccc4n3c2cc1C#N.
What is the InChIKey of benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile?
The InChIKey is GBFNURCIQMLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6N4S/c16-7-9-5-13-14(6-10(9)8-17)20-15-18-11-3-1-2-4-12(11)19(13)15/h1-6H.
What are the key properties of benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile?
benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile has a molecular weight of 274.31 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[2,1-b][1,3]benzothiazole-2,3-dicarbonitrile is sourced from PubChem (CID 752479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).