Basic information
- CAS
797029-48-2- Standard SMILES
Cn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21- InChIKey
POHLIGPLBOKZHQ-UHFFFAOYSA-N- Molecular formula
- C15H13N5S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.08916661
Names & identifiers
- Preferred name
- 6-(5-Amino-1-methyl-1H-benzoimidazol-2-yl)-benzothiazol-2-ylamine
- IUPAC
- 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine
Names & synonyms
BAS 07529409SMR0000146286-(5-Amino-1-methyl-1H-benzoimidazol-2-yl)-benzothiazol-2-ylamineTimTec1_008500MLS000075308CHEMBL1468601DTXSID501182955HMS1558K13HMS2352G17HTS12640797029-48-26-(5-Amino-1-methyl-1H-benzimidazol-2-yl)-2-benzothiazolamine
Show more names
6-(5-Amino-1-methyl-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine6-(5-AMINO-1-METHYL-1,3-BENZODIAZOL-2-YL)-1,3-BENZOTHIAZOL-2-AMINE
Database identifiers
- CAS
797029-48-2- PubChem CID
- 656158
- DTXSID
DTXSID501182955- ChEMBL
CHEMBL1468601
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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