Basic information
- Standard SMILES
COc1ccc(CNc2nsc(-c3ccc4[nH]cc(I)c4c3)n2)cc1- InChIKey
HKFQWNSRFATGHV-UHFFFAOYSA-N- Molecular formula
- C18H15IN4OS
- Average molar mass
- 462.3 g/mol
Names & identifiers
- Preferred name
- 5-(3-iodo-1H-indol-5-yl)-N-(4-methoxybenzyl)-1,2,4-thiadiazol-3-amine
- IUPAC
- 5-(3-iodo-1H-indol-5-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-3-amine
Names & synonyms
SCHEMBL12615869HKFQWNSRFATGHV-UHFFFAOYSA-N5-(3-iodo-1H-indol-5-yl)-N-(4-methoxybenzyl)-1,2,4-thiadiazol-3-amine
Database identifiers
- PubChem CID
- 68328529
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
1 records
Compound notes
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