Basic information
- CAS
313233-14-6- Standard SMILES
COC(=O)c1ccc(C(=O)Nc2nc3cc(N)ccc3s2)cc1- InChIKey
SMTPPSNSANMJKU-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.06776246
Names & identifiers
- Preferred name
- Methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate
- IUPAC
- methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Names & synonyms
methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoateOprea1_099000Oprea1_433591SCHEMBL16562065DTXSID201184314AKOS000636924313233-14-6EU-0068135ST50017301SR-01000400105SR-01000400105-1methyl 4-[N-(5-aminobenzothiazol-2-yl)carbamoyl]benzoate
Show more names
Methyl 4-[[(5-amino-2-benzothiazolyl)amino]carbonyl]benzoate
Database identifiers
- CAS
313233-14-6- PubChem CID
- 747702
- DTXSID
DTXSID201184314
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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