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139359-79-8 | Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(3-pyridinyl)-
CAS No: 139359-79-8 Catalog No: AG001AV5 MDL No:MFCD05179477
Product Description
Catalog Number:
AG001AV5
Chemical Name:
Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(3-pyridinyl)-
CAS Number:
139359-79-8
Molecular Formula:
C11H7N3OS
Molecular Weight:
229.2578
MDL Number:
MFCD05179477
IUPAC Name:
6-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C11H7N3OS/c15-7-9-10(8-2-1-3-12-6-8)13-11-14(9)4-5-16-11/h1-7H
InChI Key:
KQEUDSZPLBJPFJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1cccnc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.257g/mol
Monoisotopic Mass:
229.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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