Basic information
- CAS
71079-94-2- Standard SMILES
CCCc1cc(NC(=NC(C)(C)C)Nc2nccs2)c2ccccc2n1- InChIKey
PKFZSHWGLSTODX-UHFFFAOYSA-N- Molecular formula
- C20H25N5S
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.18306699
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-propyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-tert-butyl-1-(2-propylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5611271GUANIDINE, 1-tert-BUTYL-2-(2-PROPYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-94-21-tert-Butyl-2-(2-propyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID60221299RefChem:346911DTXCID10143790CHEMBL59965N''-tert-Butyl-N-(2-propylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-94-2- PubChem CID
- 51245
- DTXSID
DTXSID60221299- ChEMBL
CHEMBL59965- Nikkaji
- J78.449D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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