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1269533-50-7 | 6-(Methylsulfonyl)-N-(pyridin-3-ylmethyl)benzo[d]thiazol-2-amine
CAS No: 1269533-50-7 Catalog No: AG01FLYU MDL No:MFCD18447394
Product Description
Catalog Number:
AG01FLYU
Chemical Name:
6-(Methylsulfonyl)-N-(pyridin-3-ylmethyl)benzo[d]thiazol-2-amine
CAS Number:
1269533-50-7
Molecular Formula:
C14H13N3O2S2
Molecular Weight:
319.4019
MDL Number:
MFCD18447394
IUPAC Name:
6-methylsulfonyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H13N3O2S2/c1-21(18,19)11-4-5-12-13(7-11)20-14(17-12)16-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
XFEOBCKGXBOSFE-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)sc(n2)NCc1cccnc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.045g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.397g/mol
Monoisotopic Mass:
319.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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