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Home Other Building Blocks 4-Thiazoleethanamine, 2-phenyl-

4-Thiazoleethanamine, 2-phenyl-

CAS No.:
645393-01-7
Catalog Number:
AG019P7H
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
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Product Description
Catalog Number:
AG019P7H
Chemical Name:
4-Thiazoleethanamine, 2-phenyl-
CAS Number:
645393-01-7
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD08449273
IUPAC Name:
2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
InChI:
InChI=1S/C11H12N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChI Key:
CISTXXCPQIZSIS-UHFFFAOYSA-N
SMILES:
NCCc1csc(n1)c1ccccc1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
A structure-activity relationship study of compounds with antihistamine activity. Biomedical chromatography : BMC 20061001
Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists. Journal of medicinal chemistry 20031218
Properties