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146365-89-1 | Benzothiazole, 2-[4-(1H-imidazol-5-yl)-1-piperidinyl]-
CAS No: 146365-89-1 Catalog No: AG001DYB MDL No:
Product Description
Catalog Number:
AG001DYB
Chemical Name:
Benzothiazole, 2-[4-(1H-imidazol-5-yl)-1-piperidinyl]-
CAS Number:
146365-89-1
Molecular Formula:
C15H16N4S
Molecular Weight:
284.3793
IUPAC Name:
2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1,3-benzothiazole
InChI:
InChI=1S/C15H16N4S/c1-2-4-14-12(3-1)18-15(20-14)19-7-5-11(6-8-19)13-9-16-10-17-13/h1-4,9-11H,5-8H2,(H,16,17)
InChI Key:
FHJPYLPGCCSYQH-UHFFFAOYSA-N
SMILES:
c1ncc([nH]1)C1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.381g/mol
Monoisotopic Mass:
284.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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