N-tert-Butyl-N''-quinolin-5-yl-N'-1,3-thiazol-2-ylguanidine
Basic information
- CAS
72041-92-0- Standard SMILES
CC(C)(C)N=C(Nc1nccs1)Nc1cccc2ncccc12- InChIKey
BARGXFHVTDYCNS-UHFFFAOYSA-N- Molecular formula
- C17H19N5S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1361168
Names & identifiers
- Preferred name
- N-tert-Butyl-N''-quinolin-5-yl-N'-1,3-thiazol-2-ylguanidine
- IUPAC
- 2-tert-butyl-1-quinolin-5-yl-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
72041-92-0DTXSID50992744N-tert-Butyl-N''-quinolin-5-yl-N'-1,3-thiazol-2-ylguanidineRefChem:1092118DTXCID101419809BRN 5599173Guanidine, 1-tert-butyl-2-(5-quinolyl)-3-(2-thiazolyl)-CHEMBL301467N-(1,1-Dimethylethyl)-N'-5-quinolinyl-N''-2-thiazolylguanidineGuanidine, N-(1,1-dimethylethyl)-N'-5-quinolinyl-N''-2-thiazolyl-N-tert-Butyl-N''-(quinolin-5-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
72041-92-0- PubChem CID
- 3055136
- DTXSID
DTXSID50992744- ChEMBL
CHEMBL301467
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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