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2-(4-Methylphenyl)-7-nitroimidazo[2,1-b]benzothiazole

HCID 19209675
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)cc1
InChIKey
VBIQJOKZTOTEEW-UHFFFAOYSA-N
Molecular formula
C16H11N3O2S
Average molar mass
309.3 g/mol

Names & identifiers

Preferred name
2-(4-Methylphenyl)-7-nitroimidazo[2,1-b]benzothiazole
IUPAC
2-(4-methylphenyl)-6-nitroimidazo[2,1-b][1,3]benzothiazole

Names & synonyms

868522-49-02-(4-methylphenyl)-7-nitroimidazo[2,1-b]benzothiazoleAKOS003007175DB-354859

Database identifiers

PubChem CID
19209675

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
91.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
436

Related reactions

1 records
New reaction record
HRID 97947 reaction equation
HRID 97947As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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