N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
Basic information
- CAS
790726-18-0- Standard SMILES
Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1- InChIKey
RNZAMNSKXGQZEJ-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.05475542
Names & identifiers
- Preferred name
- N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
- IUPAC
- N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
Names & synonyms
790726-18-0N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamideN-(2-methyl-1,3-benzothiazol-6-yl)-2-(phenylsulfanyl)acetamideMLS002248259CHEMBL1723992DTXSID901329074HMS3074B06AKOS001082108SMR001315735Z28295510F2537-1091N-(2-methylbenzo[d]thiazol-6-yl)-2-(phenylthio)acetamide
Database identifiers
- CAS
790726-18-0- PubChem CID
- 2529752
- DTXSID
DTXSID901329074- ChEMBL
CHEMBL1723992
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility46 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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