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1219914-67-6 | 4-(Methylthio)-N-(pyridin-3-ylmethyl)benzo[d]thiazol-2-amine
CAS No: 1219914-67-6 Catalog No: AG01FLZP MDL No:MFCD16631666
Product Description
Catalog Number:
AG01FLZP
Chemical Name:
4-(Methylthio)-N-(pyridin-3-ylmethyl)benzo[d]thiazol-2-amine
CAS Number:
1219914-67-6
Molecular Formula:
C14H13N3S2
Molecular Weight:
287.4031
MDL Number:
MFCD16631666
IUPAC Name:
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H13N3S2/c1-18-11-5-2-6-12-13(11)17-14(19-12)16-9-10-4-3-7-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
YIDPBGSBCMYNFY-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1nc(s2)NCc1cccnc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.399g/mol
Monoisotopic Mass:
287.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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