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941867-32-9 | 5-Methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS No: 941867-32-9 Catalog No: AG01ARA2 MDL No:MFCD09743210
Product Description
Catalog Number:
AG01ARA2
Chemical Name:
5-Methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS Number:
941867-32-9
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
MDL Number:
MFCD09743210
IUPAC Name:
5-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H13N3OS/c1-18-11-4-5-13-12(7-11)17-14(19-13)16-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
NWENVHYRXWOEQR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)NCc1cccnc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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