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540516-34-5 | N-(2-Amino-benzothiazol-6-yl)-isobutyramide
CAS No: 540516-34-5 Catalog No: AG01FB3O MDL No:
Product Description
Catalog Number:
AG01FB3O
Chemical Name:
N-(2-Amino-benzothiazol-6-yl)-isobutyramide
CAS Number:
540516-34-5
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
N-(2-amino-1,3-benzothiazol-6-yl)-2-methylpropanamide
InChI:
InChI=1S/C11H13N3OS/c1-6(2)10(15)13-7-3-4-8-9(5-7)16-11(12)14-8/h3-6H,1-2H3,(H2,12,14)(H,13,15)
InChI Key:
BHNJATBFCVVWMW-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc2c(c1)sc(n2)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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