Basic information
- CAS
71079-46-4- Standard SMILES
Cc1cc(NC(=NCC(C)C)Nc2nccs2)c2ccccc2n1- InChIKey
BQNYRSQECCGKND-UHFFFAOYSA-N- Molecular formula
- C18H21N5S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15176686
Names & identifiers
- Preferred name
- Guanidine, 1-isobutyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-(2-methylpropyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5606294GUANIDINE, 1-ISOBUTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-71079-46-41-Isobutyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineDTXSID00221293RefChem:346897DTXCID00143784CHEMBL61973ZINC04628165N''-(2-Methylpropyl)-N-(2-methylquinolin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-46-4- PubChem CID
- 51235
- DTXSID
DTXSID00221293- ChEMBL
CHEMBL61973- Nikkaji
- J78.497D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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