Basic information
- CAS
340018-26-0- Standard SMILES
CC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1- InChIKey
LEPPRRFECIWLPX-UHFFFAOYSA-N- Molecular formula
- C13H12N4OS
- Average molar mass
- 272.33 g/mol
- Monoisotopic mass
- 272.07318219
Names & identifiers
- Preferred name
- N-(5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl)acetamide
- IUPAC
- N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
Names & synonyms
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide340018-26-0N-(5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl)acetamideRefChem:362272N-(5-((1H-indol-3-yl)methyl)-1,3,4-thiadiazol-2-yl)acetamideN-{5-[(1H-Indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}acetamideOprea1_457426Oprea1_558660MLS000663942CHEMBL1589603DTXSID701192633HMS2736G24
Show more names
HTS06304STK643109AKOS000598031AKOS005574297NCGC00307565-01SMR000270565EU-0085145AB01304365-01
Database identifiers
- CAS
340018-26-0- PubChem CID
- 685263
- DTXSID
DTXSID701192633- ChEMBL
CHEMBL1589603
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility29.4 [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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