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60750-75-6 | Isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-
CAS No: 60750-75-6 Catalog No: AG00IAQN MDL No:MFCD00232948
Product Description
Catalog Number:
AG00IAQN
Chemical Name:
Isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-
CAS Number:
60750-75-6
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD00232948
IUPAC Name:
4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
InChI:
InChI=1S/C8H8N2OS/c1-4-3-5(2)9-8-6(4)7(11)10-12-8/h3H,1-2H3,(H,10,11)
InChI Key:
LXCCCCOECARKEZ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc2c1c(=O)[nH]s2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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