Chemical ID: 4642177

c1ccc(cc1)CNC(=O)Cc2nnc(s2)N
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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Descriptor Annotations

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