Basic information
- CAS
72041-83-9- Standard SMILES
CC(C)CC(C)(C)N=C(Nc1ccncc1)Nc1nccs1- InChIKey
AMEFRKXPUQIGOF-UHFFFAOYSA-N- Molecular formula
- C16H23N5S
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.16741693
Names & identifiers
- Preferred name
- Guanidine, 2-(4-pyridyl)-1-(2-thiazolyl)-3-(1,1,3-trimethylbutyl)-
- IUPAC
- 2-(2,4-dimethylpentan-2-yl)-1-pyridin-4-yl-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
BRN 5587896GUANIDINE, 2-(4-PYRIDYL)-1-(2-THIAZOLYL)-3-(1,1,3-TRIMETHYLBUTYL)-72041-83-9DTXSID302223592-(4-Pyridyl)-1-(2-thiazolyl)-3-(1,1,3-trimethylbutyl)guanidineRefChem:346935DTXCID80144850CHEMBL60470N''-(2,4-DIMETHYLPENTAN-2-YL)-N-(PYRIDIN-4-YL)-N'-(1,3-THIAZOL-2-YL)GUANIDINE
Database identifiers
- CAS
72041-83-9- PubChem CID
- 51522
- DTXSID
DTXSID30222359- ChEMBL
CHEMBL60470- Nikkaji
- J78.488E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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