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MLS000678341,ZINC00249675,BAS 05277195,SMR000285242,ST5303431,AJ-292/4

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摘 要:MLS000678341,ZINC00249675,BAS 05277195,SMR000285242,ST5303431,AJ-292/41695419,N-(5-Methoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide, N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide,Canonical SMILES: CC(=O)NC1=NN=C(S1)COC,InChI: InChI=1/C6H9N3O2S/
[Synonyms]
MLS000678341
ZINC00249675
BAS 05277195
SMR000285242
ST5303431
AJ-292/41695419
N-(5-Methoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide

[Structure]
MLS000678341,ZINC00249675,BAS 05277195,SMR000285242,ST5303431,AJ-292/4

[ Properties Computed from Structure]
Molecular Weight187.21956 [g/mol]
Molecular FormulaC6H9N3O2S
XLogP0.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count3
Exact Mass187.041547
MonoIsotopic Mass187.041547
Topological Polar Surface Area64.1
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Canonical SMILES: CC(=O)NC1=NN=C(S1)COC
InChI: InChI=1/C6H9N3O2S/c1-4(10)7-6-9-8-5(12-6)3-11-2/h3H2,1-2H3,(H,7,9,
10)/f/h7H

 
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