ChemDB: Chemical Search
Download
Chemical ID: 4594158
Chemical ID:
4594158
Name [?]:
N-ethyl-N'-thiazol-2-yl-oxamide
SMILES [?]:
CCNC(=O)C(=O)Nc1nccs1
InChi [?]:
InChI=1/C7H9N3O2S/c1-2-8-5(11)6(12)10-7-9-3-4-13-7/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,4,6,9,3,10,8,5,7,13/rA:13nCCNCOCONCNCCS/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N3O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03478 |
Area: | 375.705 |
Solvation: | -2.35785 |
Coulombic: | -50.5275 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.55 |
LogP (Chemaxon): | 0.28 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|