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Compound
2-amino-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
HCID
85963464
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Basic information
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Properties
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Basic information
Standard SMILES
CCCC(N)C(=O)Nc1ncc(C(C)C)s1
InChIKey
NRKGJXMMIOAJIT-UHFFFAOYSA-N
Molecular formula
C11H19N3OS
Average molar mass
241.36 g/mol
Monoisotopic mass
241.12488341
Names & identifiers
Preferred name
2-amino-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
IUPAC
2-amino-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
Names & synonyms
SCHEMBL5875832
Database identifiers
PubChem CID
85963464
Properties
Computed structural properties
XLogP
2
Topological polar surface area
96.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
235
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HRID
175824
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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