ChemDB: Chemical Search
Download
Chemical ID: 5570106
Chemical ID:
5570106
Name [?]:
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-benzoimidazole-5-carboxamide
SMILES [?]:
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
InChi [?]:
InChI=1/C12H11N5OS2/c1-2-19-12-17-16-11(20-12)15-10(18)7-3-4-8-9(5-7)14-6-13-8/h3-6H,2H2,1H3,(H,13,14)(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,17,19,12,15,16,10,7,4,20,18,9,6,5,11,3,8/rA:20nCCSCNNCSNCOCCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N5OS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28205 |
Area: | 497.541 |
Solvation: | -3.15648 |
Coulombic: | -42.0471 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.32 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|