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Chemical ID: 3965227
Chemical ID:
3965227
Name [?]:
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES [?]:
CC(=O)Nc1nnc(s1)S(=O)(=O)N
InChi [?]:
InChI=1/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,13,4,6,7,3,11,12,9,10/E:(10,11)/CRV:13.6/rA:13nCCONCNNCSSOON/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;d10;d10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C4H6N4O3S2 |
| All Atoms: | 13 |
| Heavy Atoms: | 13 |
| Chiral Atoms: | 0 |
ZAP Information [?]
| Total: | 5.7647 |
| Area: | 369.709 |
| Solvation: | -3.47802 |
| Coulombic: | -40.0725 |
Bond Count [?]
| All: | 13 |
| Single: | 8 |
| Double: | 5 |
| Rotors: | 3 |
| Chiral: | 0 |
| Rigid Segments: | 3 |
Chemical Properties
| Molecular Weight: | 222.248 |
| H-Bond Donors: | 3 |
| H-Bond Acceptors: | 5 |
| XLogP: | -0.98 |
| LogP (Chemaxon): | -1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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| Chemical Mix | Source | External ID | Descriptor | Value |
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