Basic information
- CAS
36855-80-8- Standard SMILES
Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1- InChIKey
AKZCUWIRBSFXJU-UHFFFAOYSA-N- Molecular formula
- C14H11N3OS
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.06228316
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(benzothiazol-2-yl)-
- IUPAC
- 4-amino-N-(1,3-benzothiazol-2-yl)benzamide
- English name
- 4-Amino-N-(2-benzothiazolyl)benzamide
- Molecular formula
- C14H11N3OS
- Molecular weight
- 269.32
Names & synonyms
36855-80-8BENZAMIDE, 4-AMINO-N-(BENZOTHIAZOL-2-YL)-BRN 09995744-Amino-N-(benzothiazol-2-yl)benzamideDTXSID90190343RefChem:321696DTXCID001128344-amino-N-(1,3-benzothiazol-2-yl)benzamide4-Amino-N-benzothiazol-2-yl-benzamide4-amino-N-(benzo[d]thiazol-2-yl)benzamideMLS000103470SMR000015730
Show more names
Benzamide, 4-amino-N-2-benzothiazolyl-N-(benzo[d]thiazol-2-yl)-4-amino-benzamide
4-Amino-N-(2-benzothiazolyl)benzamideChemDiv3_015107Oprea1_076849Oprea1_521663cid_37560SCHEMBL4917567CHEMBL1328408BDBM48162
Database identifiers
- CAS
36855-80-8- PubChem CID
- 37560
- DTXSID
DTXSID90190343- ChEMBL
CHEMBL1328408- Nikkaji
- J54.639I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.70(Predicted)
Chemistry & industry
Applications
Uses4-Amino-N-2-benzothiazolylbenzamide is useful in the synthesis of antiulcer agents.
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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