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297743-27-2 | 4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CAS No: 297743-27-2 Catalog No: AG01FA65 MDL No:
Product Description
Catalog Number:
AG01FA65
Chemical Name:
4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CAS Number:
297743-27-2
Molecular Formula:
C11H12N2O2S2
Molecular Weight:
268.3552
IUPAC Name:
4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13)
InChI Key:
WEGQBJREVMHCEB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)N
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.349g/mol
Monoisotopic Mass:
268.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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