Basic information
- CAS
136994-96-2- Standard SMILES
Cc1cccc(C2SCc3nc4ccccc4n32)c1- InChIKey
DXMCBXOONDVGLN-UHFFFAOYSA-N- Molecular formula
- C16H14N2S
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.08776963
Names & identifiers
- Preferred name
- 1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole
- IUPAC
- 1-(3-methylphenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Names & synonyms
136994-96-2NSC6254761H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methylphenyl)-1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole1-(m-tolyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methylphenyl)-CHEMBL1985757DTXSID10929632NSC-625476NCI60_0078771-(3-Methylphenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole1-(3-Methylphenyl)-1H,3H-[1,3]thiazolo[3,4-a][1,3]benzimidazole
Database identifiers
- CAS
136994-96-2- PubChem CID
- 361997
- DTXSID
DTXSID10929632- ChEMBL
CHEMBL1985757
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…