Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester
Basic information
- CAS
104388-85-4- Standard SMILES
COC(=O)C(=O)Nc1nc2ccc(C)cc2s1- InChIKey
AYLUXTHINBJKHL-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3S
- Average molar mass
- 250.28 g/mol
- Monoisotopic mass
- 250.04121336
Names & identifiers
- Preferred name
- Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, methyl ester
- IUPAC
- methyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Names & synonyms
104388-85-4ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTERBenzothiazolyl-2-oxaminic acid, 6-methyl-, methyl ester((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid methyl esterDTXSID90146446RefChem:316069DTXCID6068937methyl [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetateSTK527650AKOS005460919methyl 2-((6-methylbenzo[d]thiazol-2-yl)amino)-2-oxoacetate
Database identifiers
- CAS
104388-85-4- PubChem CID
- 59848
- DTXSID
DTXSID90146446
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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