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88594-41-6 | Thiazole, 2-methyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS No: 88594-41-6 Catalog No: AG004BM1 MDL No:
Product Description
Catalog Number:
AG004BM1
Chemical Name:
Thiazole, 2-methyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS Number:
88594-41-6
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
IUPAC Name:
4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole
InChI:
InChI=1S/C11H17NOS/c1-8-12-10(7-14-8)9-4-5-13-11(2,3)6-9/h7,9H,4-6H2,1-3H3
InChI Key:
WBFXXJYCKPNBDU-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)C1CCOC(C1)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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