Chemical ID: 5570106

CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
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

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Descriptor Annotations

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