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Chemical ID: 4642177
Chemical ID:
4642177
Name [?]:
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzyl-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)Cc2nnc(s2)N
InChi [?]:
InChI=1/C11H12N4OS/c12-11-15-14-10(17-11)6-9(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,7,4,9,12,15,17,8,13,14,10,16/E:(2,3)(4,5)/rA:17nCCCCCCCNCOCCNNCSN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33062 |
Area: | 448.371 |
Solvation: | -2.87866 |
Coulombic: | -41.502 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.305 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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