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Chemical ID: 6605017
Chemical ID:
6605017
Name [?]:
2-(4-methylthiadiazol-5-yl)-1H-benzoimidazole
SMILES [?]:
Cc1c(snn1)c2[nH]c3ccccc3n2
InChi [?]:
InChI=1/C10H8N4S/c1-6-9(15-14-13-6)10-11-7-4-2-3-5-8(7)12-10/h2-5H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,2,9,14,3,7,8,15,6,5,4/E:(2,3)(4,5)(7,8)(11,12)/rA:15nCCCSNNCNCCCCCCN/rB:s1;d2;s3;s4;s2d5;s3;s7;s8;s9;d10;s11;d12;d9s13;d7s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N4S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82901 |
Area: | 371.601 |
Solvation: | -1.46101 |
Coulombic: | -19.231 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.263 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.87 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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