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Chemical ID: 6122686
Chemical ID:
6122686
Name [?]:
2-acetyl-5-acetylimino-thiadiazole-4-carboxamide
SMILES [?]:
CC(=O)N=c1c(nn(s1)C(=O)C)C(=O)N
InChi [?]:
InChI=1/C7H8N4O3S/c1-3(12)9-7-5(6(8)14)10-11(15-7)4(2)13/h1-2H3,(H2,8,14)
InChi Info:
AuxInfo=1/1/N:1,12,2,10,6,13,5,15,4,7,8,3,11,14,9/rA:15nCCONCCNNSCOCCON/rB:s1;d2;s2;w4;s5;d6;s7;s5s8;s8;d10;s10;s6;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N4O3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08157 |
Area: | 377.594 |
Solvation: | -3.35829 |
Coulombic: | -52.2297 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.23 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.14 |
LogP (Chemaxon): | -1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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