2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Basic information
- CAS
536702-03-1- Standard SMILES
Cc1[nH]c2ccccc2c1SCC(=O)Nc1nccs1- InChIKey
VGDLUEGDBRKNKL-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.05000439
Names & identifiers
- Preferred name
- 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Names & synonyms
536702-03-12-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide2-((2-methyl-1H-indol-3-yl)thio)-N-(thiazol-2-yl)acetamideZINC02718336Oprea1_047049MLS000419129CHEMBL1556381DTXSID101329044HMS1650A07HMS2666J21AKOS024584663SMR000319847
Show more names
AB00588462-02SR-01000007267SR-01000007267-1F0575-0037
Database identifiers
- CAS
536702-03-1- PubChem CID
- 2153530
- DTXSID
DTXSID101329044- ChEMBL
CHEMBL1556381
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility4.8 [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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