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88572-07-0 | Thiazole, 2-methyl-4-(tetrahydro-2-propyl-2H-pyran-4-yl)-
CAS No: 88572-07-0 Catalog No: AG004BVF MDL No:
Product Description
Catalog Number:
AG004BVF
Chemical Name:
Thiazole, 2-methyl-4-(tetrahydro-2-propyl-2H-pyran-4-yl)-
CAS Number:
88572-07-0
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
IUPAC Name:
2-methyl-4-(2-propyloxan-4-yl)-1,3-thiazole
InChI:
InChI=1S/C12H19NOS/c1-3-4-11-7-10(5-6-14-11)12-8-15-9(2)13-12/h8,10-11H,3-7H2,1-2H3
InChI Key:
FNRAFLQGZOWCQJ-UHFFFAOYSA-N
SMILES:
CCCC1OCCC(C1)c1csc(n1)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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