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1177278-07-7 | N-(3-(1H-Imidazol-1-yl)propyl)-4-methoxy-7-methylbenzo[d]thiazol-2-amine
CAS No: 1177278-07-7 Catalog No: AG01FM26 MDL No:MFCD16631707
Product Description
Catalog Number:
AG01FM26
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-4-methoxy-7-methylbenzo[d]thiazol-2-amine
CAS Number:
1177278-07-7
Molecular Formula:
C15H18N4OS
Molecular Weight:
302.3946
MDL Number:
MFCD16631707
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H18N4OS/c1-11-4-5-12(20-2)13-14(11)21-15(18-13)17-6-3-8-19-9-7-16-10-19/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,18)
InChI Key:
UVHZSTQESLUFJM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCCCn1ccnc1)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.396g/mol
Monoisotopic Mass:
302.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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