N-(2-Methylbutan-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)-N-1,3-thiazol-2-ylguanidine
Basic information
- CAS
71080-05-2- Standard SMILES
CCC(C)(C)N(C(N)=Nc1cc(C)nc2ccccc12)c1nccs1- InChIKey
ZSAMYHHESBMROH-UHFFFAOYSA-N- Molecular formula
- C19H23N5S
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.16741693
Names & identifiers
- Preferred name
- N-(2-Methylbutan-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)-N-1,3-thiazol-2-ylguanidine
- IUPAC
- 1-(2-methylbutan-2-yl)-2-(2-methylquinolin-4-yl)-1-(1,3-thiazol-2-yl)guanidine
Names & synonyms
DTXSID0099140471080-05-2N-(2-Methylbutan-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)-N-1,3-thiazol-2-ylguanidineRefChem:1091067DTXCID101418487BRN 56189171-tert-Pentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineGUANIDINE, 1-tert-PENTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-N-(2-Methylbutan-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)-N-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
71080-05-2- PubChem CID
- 51247
- DTXSID
DTXSID00991404
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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