Home Other Building Blocks 2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetic acid

2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetic acid

CAS No.:
66950-03-6
Catalog Number:
AG01B1XE
Molecular Formula:
C8H11N3O4S
Molecular Weight:
245.2556
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Product Description
Catalog Number:
AG01B1XE
Chemical Name:
2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetic acid
CAS Number:
66950-03-6
Molecular Formula:
C8H11N3O4S
Molecular Weight:
245.2556
MDL Number:
MFCD01995959
IUPAC Name:
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid
InChI:
InChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChI Key:
ZWMFBTMNSSMSGD-UHFFFAOYSA-N
SMILES:
OC(=O)COc1nsnc1N1CCOCC1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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
Properties