Basic information
- CAS
71079-57-7- Standard SMILES
Cc1cc(NC(=NC2CCCC2)Nc2nccs2)c2ccccc2n1- InChIKey
RIKFPNXOGXBTHV-UHFFFAOYSA-N- Molecular formula
- C19H21N5S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.15176686
Names & identifiers
- Preferred name
- Guanidine, 1-cyclopentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-cyclopentyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5617986GUANIDINE, 1-CYCLOPENTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-57-71-Cyclopentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID80221296RefChem:346891DTXCID80143787CHEMBL292110N''-Cyclopentyl-N-(2-methylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-57-7- PubChem CID
- 51240
- DTXSID
DTXSID80221296- ChEMBL
CHEMBL292110- Nikkaji
- J78.485K
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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