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1177336-44-5 | N-(3-(1H-Imidazol-1-yl)propyl)-6-ethoxybenzo[d]thiazol-2-amine
CAS No: 1177336-44-5 Catalog No: AG01FM2R MDL No:MFCD16631713
Product Description
Catalog Number:
AG01FM2R
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-6-ethoxybenzo[d]thiazol-2-amine
CAS Number:
1177336-44-5
Molecular Formula:
C15H18N4OS
Molecular Weight:
302.3946
MDL Number:
MFCD16631713
IUPAC Name:
6-ethoxy-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H18N4OS/c1-2-20-12-4-5-13-14(10-12)21-15(18-13)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,17,18)
InChI Key:
RNAVPEOLFDLLRM-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)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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