Basic information
- CAS
71079-75-9- Standard SMILES
Cc1cc(NC(=NC2NC=CS2)NC(C)(C)C)c2ccccc2n1- InChIKey
BTUDHKWPMCEHCY-UHFFFAOYSA-N- Molecular formula
- C18H23N5S
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.16741693
Overview
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Names & identifiers
- Preferred name
- N-tert-Butyl-N''-(2,3-dihydro-1,3-thiazol-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)guanidine
- IUPAC
- 1-tert-butyl-2-(2,3-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
Names & synonyms
DTXSID60991389N-tert-Butyl-N''-(2,3-dihydro-1,3-thiazol-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)guanidine
Database identifiers
- CAS
71079-75-9- PubChem CID
- 51242
- DTXSID
DTXSID60991389
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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