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29198-43-4 | 2-Benzothiazolecarboxamide(6CI,8CI,9CI)
CAS No: 29198-43-4 Catalog No: AG002XNE MDL No:MFCD03731182
Product Description
Catalog Number:
AG002XNE
Chemical Name:
2-Benzothiazolecarboxamide(6CI,8CI,9CI)
CAS Number:
29198-43-4
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD03731182
IUPAC Name:
1,3-benzothiazole-2-carboxamide
InChI:
InChI=1S/C8H6N2OS/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11)
InChI Key:
LYASTVLDAJIXBL-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc2c(s1)cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors. | Bioorganic & medicinal chemistry letters 20120801 |
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