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1206992-97-3 | N-(3-(1H-Imidazol-1-yl)propyl)-6-bromobenzo[d]thiazol-2-amine
CAS No: 1206992-97-3 Catalog No: AG01FM1J MDL No:MFCD16631823
Product Description
Catalog Number:
AG01FM1J
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-6-bromobenzo[d]thiazol-2-amine
CAS Number:
1206992-97-3
Molecular Formula:
C13H13BrN4S
Molecular Weight:
337.2381
MDL Number:
MFCD16631823
IUPAC Name:
6-bromo-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H13BrN4S/c14-10-2-3-11-12(8-10)19-13(17-11)16-4-1-6-18-7-5-15-9-18/h2-3,5,7-9H,1,4,6H2,(H,16,17)
InChI Key:
PWGGUSSXSLWVDX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)NCCCn1cncc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.004g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.239g/mol
Monoisotopic Mass:
336.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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