Basic information
- Standard SMILES
CCNC(=O)Nc1nc2ccc(C#Cc3ccccc3)cc2s1- InChIKey
OLRPOKGDTAIUIS-UHFFFAOYSA-N- Molecular formula
- C18H15N3OS
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 1-(6-Phenylacetylenyl-2-benzothiazolyl)-3-ethylurea
- IUPAC
- 1-ethyl-3-[6-(2-phenylethynyl)-1,3-benzothiazol-2-yl]urea
Names & synonyms
SCHEMBL6068050OLRPOKGDTAIUIS-UHFFFAOYSA-N1-(6-Phenylacetylenyl-2-benzothiazolyl)-3-ethylurea
Database identifiers
- PubChem CID
- 21985545
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Related reactions
6 records
Compound notes
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