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51785-22-9 | Benzothiazole, 2-(2-piperidinyl)- (9CI)
CAS No: 51785-22-9 Catalog No: AG00DIFV MDL No:MFCD05190089
Product Description
Catalog Number:
AG00DIFV
Chemical Name:
Benzothiazole, 2-(2-piperidinyl)- (9CI)
CAS Number:
51785-22-9
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD05190089
IUPAC Name:
2-piperidin-2-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H14N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChI Key:
QXJHTXUNRZNJKT-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)c1nc2c(s1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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