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88572-06-9 | 2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CAS No: 88572-06-9 Catalog No: AG004DM0 MDL No:
Product Description
Catalog Number:
AG004DM0
Chemical Name:
2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CAS Number:
88572-06-9
Molecular Formula:
C11H18N2OS
Molecular Weight:
226.3384
IUPAC Name:
4-(2-propan-2-yloxan-4-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C11H18N2OS/c1-7(2)10-5-8(3-4-14-10)9-6-15-11(12)13-9/h6-8,10H,3-5H2,1-2H3,(H2,12,13)
InChI Key:
JXYPLQDIDJLTJJ-UHFFFAOYSA-N
SMILES:
CC(C1OCCC(C1)c1csc(n1)N)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.338g/mol
Monoisotopic Mass:
226.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
2
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 |
| 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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