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(Q82851793)
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English
2-{[(1S,4R)-Bicyclo[2.2.1]heptan-2-yl]amino}-5-methyl-5-(propan-2-yl)-1,3-thiazol-4(5H)-one
group of stereoisomers with the chemical formula C₁₄H₂₂N₂OS
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
266.145284324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂N₂OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C1(C)SC(=NC2CC3CCC2C3)N=C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C1(C)SC(=NC2C[C@@H]3CC[C@H]2C3)NC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11?,14?/m1/s1
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InChIKey
YCNCXQNUXCHRRX-KEPWKZQTSA-N
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CAS Registry Number
870708-16-0
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PubChem CID
136276613
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43619133
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80856608
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DSSTOX compound identifier
DTXCID50807349
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