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Chemical ID: 3967433
Chemical ID:
3967433
Name [?]:
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
SMILES [?]:
CC(=O)N=c1n(nc(s1)S(=O)(=O)N)C
InChi [?]:
InChI=1/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
InChi Info:
AuxInfo=1/1/N:1,14,2,5,8,13,4,7,6,3,11,12,9,10/E:(11,12)/CRV:14.6/rA:14nCCONCNNCSSOONC/rB:s1;d2;s2;w4;s5;s6;d7;s5s8;s8;d10;d10;s10;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H8N4O3S2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.45743 |
Area: | 380.141 |
Solvation: | -3.04609 |
Coulombic: | -37.4977 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 236.274 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.33 |
LogP (Chemaxon): | -0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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