N-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-N'-[2-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]ethyl]urea
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Basic information
- Standard SMILES
CN(CCNC(=O)NCCSCc1csc(NC(=N)N)n1)CCC(c1ccccc1)c1ccccn1- InChIKey
RPLLBPAGCRTRTM-UHFFFAOYSA-N- Molecular formula
- C25H34N8OS2
- Average molar mass
- 526.7 g/mol
- Monoisotopic mass
- 526.22970008
Names & identifiers
- Preferred name
- N-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-N'-[2-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]ethyl]urea
- IUPAC
- 1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-3-[2-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]ethyl]urea
Names & synonyms
SCHEMBL9593985SCHEMBL9593988RPLLBPAGCRTRTM-UHFFFAOYSA-NN-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-N'-[2-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]ethyl]urea
Database identifiers
- PubChem CID
- 10744679
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 660
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Related reactions
2 records
Compound notes
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