Basic information
- CAS
71079-34-0- Standard SMILES
Cc1csc(NC(=NC(C)(C)C)Nc2cc(C)nc3ccccc23)n1- InChIKey
OSRKVWBHNVHECI-UHFFFAOYSA-N- Molecular formula
- C19H23N5S
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.16741693
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(4-methyl-2-thiazolyl)-
- IUPAC
- 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 561139771079-34-0GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(4-METHYL-2-THIAZOLYL)-DTXSID102212891-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4-methyl-2-thiazolyl)guanidineRefChem:346909DTXCID60143780CHEMBL431325N''-tert-Butyl-N-(2-methylquinolin-4-yl)-N'-(4-methyl-1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-34-0- PubChem CID
- 51233
- DTXSID
DTXSID10221289- ChEMBL
CHEMBL431325- Nikkaji
- J78.443E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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