Chemical ID: 7116826

COc1cc(ccc1O)c2nnc(s2)N
Chemical ID:
7116826
Name [?]:
4-(5-amino-1,3,4-thiadiazol-2-yl)-2-methoxy-phenol
SMILES [?]:
COc1cc(ccc1O)c2nnc(s2)N
InChi [?]:
InChI=1/C9H9N3O2S/c1-14-7-4-5(2-3-6(7)13)8-11-12-9(10)15-8/h2-4,13H,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,5,8,3,10,13,15,11,12,9,2,14/rA:15nCOCCCCCCOCNNCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s11;d12;s10s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O2S
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.16299
Area:390.353
Solvation:-3.59583
Coulombic:-44.7863
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.253
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):0.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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