Basic information
- CAS
84761-93-3- Standard SMILES
CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1- InChIKey
FEDKXZRSVIBYDP-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.05686342
Names & identifiers
- Preferred name
- Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, ethyl ester
- IUPAC
- ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Names & synonyms
84761-93-3ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTERBenzothiazolyl-2-oxaminic acid, 6-methyl-, ethyl ester((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid ethyl esterDTXSID20233797RefChem:316068DTXCID50156288NSC623753ethyl [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetateCHEMBL2002784ethyl (6-methylbenzothiazol-2-yl)carbamoylformateEthyl ((6-methyl-1,3-benzothiazol-2-yl)amino)(oxo)acetate
Show more names
Ethyl 2-((6-methylbenzo[d]thiazol-2-yl)amino)-2-oxoacetateethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetateBDBM50385306STK021220AKOS000648311NSC-623753NCI60_007068ST061399
Database identifiers
- CAS
84761-93-3- PubChem CID
- 55294
- DTXSID
DTXSID20233797- ChEMBL
CHEMBL2002784
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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