Guanidine, 1-sec-butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
Basic information
- CAS
71079-47-5- Standard SMILES
CCC(C)N=C(Nc1nccs1)Nc1cc(C)nc2ccccc12- InChIKey
MBHYXGIPAYUKIJ-UHFFFAOYSA-N- Molecular formula
- C18H21N5S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15176686
Names & identifiers
- Preferred name
- Guanidine, 1-sec-butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-
- IUPAC
- 2-butan-2-yl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
71079-47-5GUANIDINE, 1-sec-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-RefChem:1086244BRN 56059651-sec-Butyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidineCHEMBL60344DTXSID50991378N''-(Butan-2-yl)-N-(2-methylquinolin-4(1H)-ylidene)-N'-(1,3-thiazol-2-yl)guanidineN''-Butan-2-yl-N-(2-methylquinolin-4(1H)-ylidene)-N'-1,3-thiazol-2-ylguanidine
Database identifiers
- CAS
71079-47-5- PubChem CID
- 51236
- DTXSID
DTXSID50991378- ChEMBL
CHEMBL60344- Nikkaji
- J78.447H
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 430
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Compound notes
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