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1219905-40-4 | 5-Chloro-4-methyl-N-((tetrahydrofuran-2-yl)methyl)benzo[d]thiazol-2-amine
CAS No: 1219905-40-4 Catalog No: AG01FMZR MDL No:MFCD16631656
Product Description
Catalog Number:
AG01FMZR
Chemical Name:
5-Chloro-4-methyl-N-((tetrahydrofuran-2-yl)methyl)benzo[d]thiazol-2-amine
CAS Number:
1219905-40-4
Molecular Formula:
C13H15ClN2OS
Molecular Weight:
282.7890
MDL Number:
MFCD16631656
IUPAC Name:
5-chloro-4-methyl-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H15ClN2OS/c1-8-10(14)4-5-11-12(8)16-13(18-11)15-7-9-3-2-6-17-9/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChI Key:
COMYMLWHTZXCSC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1C)nc(s2)NCC1CCCO1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.786g/mol
Monoisotopic Mass:
282.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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