Home Nitriles 4-Isothiazolecarbonitrile,3-methyl-5-(methylamino)-

4-Isothiazolecarbonitrile,3-methyl-5-(methylamino)-

CAS No.:
88394-37-0
Catalog Number:
AG004LIZ
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
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Product Description
Catalog Number:
AG004LIZ
Chemical Name:
4-Isothiazolecarbonitrile,3-methyl-5-(methylamino)-
CAS Number:
88394-37-0
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
MDL Number:
MFCD07366455
IUPAC Name:
3-methyl-5-(methylamino)-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H7N3S/c1-4-5(3-7)6(8-2)10-9-4/h8H,1-2H3
InChI Key:
GDPJRPDAKMCDSG-UHFFFAOYSA-N
SMILES:
CNc1snc(c1C#N)C
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.036g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.203g/mol
Monoisotopic Mass:
153.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties