Home Amines 1204297-87-9
1204297-87-9,MFCD16631822
Catalog No.:AA01AQBM
1204297-87-9 | N-[3-(1H-Imidazol-1-yl)propyl]-4,6-dimethyl-1,3-benzothiazol-2-amine
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Technical Information
Catalog Number:
AA01AQBM
Chemical Name:
N-[3-(1H-Imidazol-1-yl)propyl]-4,6-dimethyl-1,3-benzothiazol-2-amine
CAS Number:
1204297-87-9
Molecular Formula:
C15H18N4S
Molecular Weight:
286.3952
MDL Number:
MFCD16631822
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4,6-dimethyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H18N4S/c1-11-8-12(2)14-13(9-11)20-15(18-14)17-4-3-6-19-7-5-16-10-19/h5,7-10H,3-4,6H2,1-2H3,(H,17,18)
InChI Key:
MHUHQDWZHZBBRY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)sc(n2)NCCCn1cncc1
Properties
Computed Properties
 
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.125g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.397g/mol
Monoisotopic Mass:
286.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
N-[3-(1H-imidazol-1-yl)propyl]-4,6-dimethyl-1,3-benzothiazol-2-amine 
1204297-87-9 
ZINC36657639 
AKOS015957486 
MCULE-1303688562 
L-4117 
F2158-0842 
N-[3-(imidazol-1-yl)propyl]-4,6-dimethyl-1,3-benzothiazol-2-amine 
Literature
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