Basic information
- CAS
71079-58-8- Standard SMILES
Cc1cc(NC(=NC2(C)CCCC2)Nc2nccs2)c2ccccc2n1- InChIKey
UXRGHLPVZSDLBT-UHFFFAOYSA-N- Molecular formula
- C20H23N5S
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.16741693
Names & identifiers
- Preferred name
- Guanidine, 1-(1-methylcyclopentyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-(1-methylcyclopentyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5625946GUANIDINE, 1-(1-METHYLCYCLOPENTYL)-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-58-8DTXSID402212971-(1-Methylcyclopentyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineRefChem:346804DTXCID40143788CHEMBL59802N''-(1-Methylcyclopentyl)-N-(2-methylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-58-8- PubChem CID
- 51241
- DTXSID
DTXSID40221297- ChEMBL
CHEMBL59802- Nikkaji
- J73.593K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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