Basic information
- Standard SMILES
CC(C)Oc1ccc(Oc2nnc(-c3ccc(C(C)N)s3)s2)cc1- InChIKey
WYDRZMPPFVHFNW-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2S2
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- 1-{5-[5-(4-Isopropoxyphenoxy)-1,3,4-thiadiazol-2-yl]thien-2-yl}ethanamine
- IUPAC
- 1-[5-[5-(4-propan-2-yloxyphenoxy)-1,3,4-thiadiazol-2-yl]thiophen-2-yl]ethanamine
Names & synonyms
SCHEMBL5422962WYDRZMPPFVHFNW-UHFFFAOYSA-N1-{5-[5-(4-isopropoxyphenoxy)-1,3,4-thiadiazol-2-yl]thien-2-yl}ethanamine
Database identifiers
- PubChem CID
- 69435596
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
3 records
Compound notes
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