Basic information
- CAS
72042-02-5- Standard SMILES
Cc1cc(NC(=NC23CC4CC(CC(C4)C2)C3)Nc2nccs2)c2ccccc2n1- InChIKey
WQLJPDHETNRRQI-UHFFFAOYSA-N- Molecular formula
- C24H27N5S
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.19871706
Names & identifiers
- Preferred name
- Guanidine, N-(2-methyl-4-quinolinyl)-N'-2-thiazolyl-N''-tricyclo(3.3.1.1(3,7))dec-1-yl-
- IUPAC
- 2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
72042-02-5Guanidine, N-(2-methyl-4-quinolinyl)-N'-2-thiazolyl-N''-tricyclo(3.3.1.1(3,7))dec-1-yl-RefChem:1086285BRN 5649929Guanidine, 1-(1-adamantyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-CHEMBL294085DTXSID50992749N-(2-Methyl-4-quinolinyl)-N'-2-thiazolyl-N''-tricyclo(3.3.1.1(3,7))dec-1-ylguanidineN-(Adamantan-1-yl)-N'-(2-methylquinolin-4(1H)-ylidene)-N''-(1,3-thiazol-2-yl)guanidineN-Adamantan-1-yl-N'-(2-methylquinolin-4(1H)-ylidene)-N''-1,3-thiazol-2-ylguanidine
Database identifiers
- CAS
72042-02-5- PubChem CID
- 64487
- DTXSID
DTXSID50992749- ChEMBL
CHEMBL294085
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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