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137180-65-5 | 1-Oxaspiro[4.5]decan-2-one, 4-(2-amino-4-thiazolyl)-
CAS No: 137180-65-5 Catalog No: AG0012X4 MDL No:MFCD00440457
Product Description
Catalog Number:
AG0012X4
Chemical Name:
1-Oxaspiro[4.5]decan-2-one, 4-(2-amino-4-thiazolyl)-
CAS Number:
137180-65-5
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
MDL Number:
MFCD00440457
IUPAC Name:
4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
InChI:
InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)
InChI Key:
TYUHVGOUDDESRF-UHFFFAOYSA-N
SMILES:
O=C1CC(C2(O1)CCCCC2)c1csc(n1)N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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