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1-(2-Phenylthiazol-5-yl)ethylamine 1-(2-phenyl-1,3-thiazol-5-yl)ethana

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摘 要:1-(2-Phenylthiazol-5-yl)ethylamine 1-(2-phenyl-1,3-thiazol-5-yl)ethanamine,Canonical SMILES: CC(C1=CN=C(S1)C2=CC=CC=C2)N,InChI: InChI=1/C11H12N2S/c1-8(12)10-7-13-11(14-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3,Molecular Weight204.29138 [g/mol]Molecular Formula
[Synonyms]
1-(2-Phenylthiazol-5-yl)ethylamine
[Structure]
1-(2-Phenylthiazol-5-yl)ethylamine 1-(2-phenyl-1,3-thiazol-5-yl)ethana

[ Properties Computed from Structure]
Molecular Weight204.29138 [g/mol]
Molecular FormulaC11H12N2S
XLogP1.4
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass204.072119
MonoIsotopic Mass204.072119
Topological Polar Surface Area38.9
Heavy Atom Count14
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(2-phenyl-1,3-thiazol-5-yl)ethanamine
Canonical SMILES: CC(C1=CN=C(S1)C2=CC=CC=C2)N
InChI: InChI=1/C11H12N2S/c1-8(12)10-7-13-11(14-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3

 
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