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1207000-47-2 | N-(3-(1H-Imidazol-1-yl)propyl)-4-ethoxybenzo[d]thiazol-2-amine
CAS No: 1207000-47-2 Catalog No: AG01FM2Y MDL No:MFCD16631824
Product Description
Catalog Number:
AG01FM2Y
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-4-ethoxybenzo[d]thiazol-2-amine
CAS Number:
1207000-47-2
Molecular Formula:
C15H18N4OS
Molecular Weight:
302.3946
MDL Number:
MFCD16631824
IUPAC Name:
4-ethoxy-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H18N4OS/c1-2-20-12-5-3-6-13-14(12)18-15(21-13)17-7-4-9-19-10-8-16-11-19/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,17,18)
InChI Key:
UHOOFTBPMBXTSI-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1nc(s2)NCCCn1cncc1
Properties
Complexity:
320
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:
7
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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