Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
Basic information
- CAS
71079-32-8- Standard SMILES
Cc1cc(NC(=NC(C)(C)C)Nc2nccs2)c2ccccc2n1- InChIKey
KMWVRIUVVAJITK-UHFFFAOYSA-N- Molecular formula
- C18H21N5S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15176686
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5600805GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-32-81-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID50221288RefChem:346908DTXCID50143779CHEMBL294315N''-tert-Butyl-N-(2-methylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-32-8- PubChem CID
- 51232
- DTXSID
DTXSID50221288- ChEMBL
CHEMBL294315- Nikkaji
- J78.448F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
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Compound notes
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