Guanidine, 1-(2,2-dimethylpropyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
Basic information
- CAS
71079-48-6- Standard SMILES
Cc1cc(NC(=NCC(C)(C)C)Nc2nccs2)c2ccccc2n1- InChIKey
ARUAUVLJJMTZRL-UHFFFAOYSA-N- Molecular formula
- C19H23N5S
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.16741693
Names & identifiers
- Preferred name
- Guanidine, 1-(2,2-dimethylpropyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-(2,2-dimethylpropyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5611830GUANIDINE, 1-(2,2-DIMETHYLPROPYL)-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-48-61-(2,2-Dimethylpropyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID60221294RefChem:346806DTXCID60143785CHEMBL300108N''-(2,2-Dimethylpropyl)-N-(2-methylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-48-6- PubChem CID
- 51237
- DTXSID
DTXSID60221294- ChEMBL
CHEMBL300108- Nikkaji
- J78.489C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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