Chemical ID: 3928410

COCC(=O)Nc1nnc(s1)c2ccccc2
Chemical ID:
3928410
Name [?]:
2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-acetamide
SMILES [?]:
COCC(=O)Nc1nnc(s1)c2ccccc2
InChi [?]:
InChI=1/C11H11N3O2S/c1-16-7-9(15)12-11-14-13-10(17-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,12,4,10,7,6,9,8,5,2,11/E:(3,4)(5,6)/rA:17nCOCCONCNNCSCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.79593
Area:442.443
Solvation:-5.26513
Coulombic:-32.8209
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.95
LogP (Chemaxon):1.31

Name Annotations

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Descriptor Annotations

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