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Home Other Building Blocks ethyl 2-[2-(ethylimino)-3-(2,4,6-trimethylphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(ethylimino)-3-(2,4,6-trimethylphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetate

CAS No.:
565206-89-5
Catalog Number:
AG019IFJ
Molecular Formula:
C18H24N2O2S
Molecular Weight:
332.4604
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Product Description
Catalog Number:
AG019IFJ
Chemical Name:
ethyl 2-[2-(ethylimino)-3-(2,4,6-trimethylphenyl)-2,3-dihydro-1,3-thiazol-4-yl]acetate
CAS Number:
565206-89-5
Molecular Formula:
C18H24N2O2S
Molecular Weight:
332.4604
MDL Number:
MFCD18433769
IUPAC Name:
ethyl 2-[2-ethylimino-3-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetate
InChI:
InChI=1S/C18H24N2O2S/c1-6-19-18-20(15(11-23-18)10-16(21)22-7-2)17-13(4)8-12(3)9-14(17)5/h8-9,11H,6-7,10H2,1-5H3
InChI Key:
PBQKRDSCYLQWHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1csc(=NCC)n1c1c(C)cc(cc1C)C
Properties
Complexity:
477  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.156g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.462g/mol
Monoisotopic Mass:
332.156g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties