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Home > Imidazoles > 860788-31-4
860788-31-4 | (3E)-4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
CAS No: 860788-31-4 Catalog No: AG00IR91 MDL No:MFCD03787263
Product Description
Catalog Number:
AG00IR91
Chemical Name:
(3E)-4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
CAS Number:
860788-31-4
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD03787263
IUPAC Name:
4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
InChI:
InChI=1S/C16H14N2OS/c1-11-3-6-13(7-4-11)15-14(8-5-12(2)19)18-9-10-20-16(18)17-15/h3-10H,1-2H3
InChI Key:
BMKHECMEWDTDLJ-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1c(nc2n1ccs2)c1ccc(cc1)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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