Home Amines 1204297-10-8
1204297-10-8,MFCD16631804
Catalog No.:AA01AQ96
1204297-10-8 | 4-Isopropyl-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzothiazol-2-amine
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Technical Information
Catalog Number:
AA01AQ96
Chemical Name:
4-Isopropyl-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzothiazol-2-amine
CAS Number:
1204297-10-8
Molecular Formula:
C15H20N2OS
Molecular Weight:
276.3971
MDL Number:
MFCD16631804
IUPAC Name:
N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H20N2OS/c1-10(2)12-6-3-7-13-14(12)17-15(19-13)16-9-11-5-4-8-18-11/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,16,17)
InChI Key:
SQMPRDKBKJEISC-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1nc(s2)NCC1CCCO1)C
Properties
Computed Properties
 
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.13g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.398g/mol
Monoisotopic Mass:
276.13g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Synonyms
 
1204297-10-8 
4-isopropyl-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzothiazol-2-amine 
AKOS015957403 
MCULE-9845931332 
VU0494818-1 
L-4113 
F2158-0823 
4-isopropyl-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine 
N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-benzothiazol-2-amine 
Literature
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