Guanidine, 1-tert-butyl-2-(2-isobutyl-4-quinolyl)-3-(2-thiazolyl)
Basic information
- CAS
71079-96-4- Standard SMILES
CC(C)Cc1cc(NC(=NC(C)(C)C)Nc2nccs2)c2ccccc2n1- InChIKey
OEZLBYGFUZUHJL-UHFFFAOYSA-N- Molecular formula
- C21H27N5S
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.19871706
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-isobutyl-4-quinolyl)-3-(2-thiazolyl)
- IUPAC
- 2-tert-butyl-1-[2-(2-methylpropyl)quinolin-4-yl]-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 561901971079-96-41-tert-Butyl-2-(2-isobutyl-4-quinolyl)-3-(2-thiazolyl)guanidineGUANIDINE, 1-tert-BUTYL-2-(2-ISOBUTYL-4-QUINOLYL)-3-(2-THIAZOLYL)DTXSID10221300RefChem:346905DTXCID70143791CHEMBL61548N''-tert-Butyl-N-[2-(2-methylpropyl)quinolin-4-yl]-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71079-96-4- PubChem CID
- 51246
- DTXSID
DTXSID10221300- ChEMBL
CHEMBL61548- Nikkaji
- J78.441I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…