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681170-14-9 | 6-Benzothiazolecarboxamide,N-(5-methyl-3-isoxazolyl)-(9CI)
CAS No: 681170-14-9 Catalog No: AG00FJQW MDL No:MFCD00111656
Product Description
Catalog Number:
AG00FJQW
Chemical Name:
6-Benzothiazolecarboxamide,N-(5-methyl-3-isoxazolyl)-(9CI)
CAS Number:
681170-14-9
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
MDL Number:
MFCD00111656
IUPAC Name:
N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
InChI:
InChI=1S/C12H9N3O2S/c1-7-4-11(15-17-7)14-12(16)8-2-3-9-10(5-8)18-6-13-9/h2-6H,1H3,(H,14,15,16)
InChI Key:
RQHVNTGBUYDNLI-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)NC(=O)c1ccc2c(c1)scn2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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