N-(2-Methylbutan-2-yl)-N''-pyridin-3-yl-N'-1,3-thiazol-2-ylguanidine
Basic information
- CAS
67026-82-8- Standard SMILES
CCC(C)(C)N=C(Nc1cccnc1)Nc1nccs1- InChIKey
QFSDTQTUKIMXAD-UHFFFAOYSA-N- Molecular formula
- C14H19N5S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1361168
Names & identifiers
- Preferred name
- N-(2-Methylbutan-2-yl)-N''-pyridin-3-yl-N'-1,3-thiazol-2-ylguanidine
- IUPAC
- 2-(2-methylbutan-2-yl)-1-pyridin-3-yl-3-(1,3-thiazol-2-yl)guanidine
Names & synonyms
67026-82-8DTXSID10985899N-(2-Methylbutan-2-yl)-N''-pyridin-3-yl-N'-1,3-thiazol-2-ylguanidineRefChem:1091066DTXCID501413089Guanidine, N-(1,1-dimethylpropyl)-N'-3-pyridinyl-N''-2-thiazolyl-NSC315862BRN 5576299CHEMBL432148Guanidine, 1-tert-pentyl-2-(3-pyridyl)-3-(2-thiazolyl)-N-(1,1-Dimethylpropyl)-N'-3-pyridinyl-N''-2-thiazolylguanidineNSC 315862
Show more names
NSC-315862N-(2-Methylbutan-2-yl)-N''-(pyridin-3-yl)-N'-(1,3-thiazol-2-yl)guanidine
Database identifiers
- CAS
67026-82-8- PubChem CID
- 100537
- DTXSID
DTXSID10985899- ChEMBL
CHEMBL432148
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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