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1397194-35-2 | Imidazo[2,1-b]thiazole-3-carboxylic acid, 6-(3-aminophenyl)-, ethyl ester
CAS No: 1397194-35-2 Catalog No: AG001BKC MDL No:
Product Description
Catalog Number:
AG001BKC
Chemical Name:
Imidazo[2,1-b]thiazole-3-carboxylic acid, 6-(3-aminophenyl)-, ethyl ester
CAS Number:
1397194-35-2
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
ethyl 6-(3-aminophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
InChI:
InChI=1S/C14H13N3O2S/c1-2-19-13(18)12-8-20-14-16-11(7-17(12)14)9-4-3-5-10(15)6-9/h3-8H,2,15H2,1H3
InChI Key:
MIDQYLXHOVICQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc2n1cc(n2)c1cccc(c1)N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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