ChemDB: Chemical Search
Download
Chemical ID: 6350593
Chemical ID:
6350593
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-4-18-12-8-6-5-7-11(12)13(17)16-14-15-9(2)10(3)19-14/h5-8H,4H2,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,18,2,7,6,8,5,15,16,9,4,10,13,14,12,11,3,17/rA:19nCCOCCCCCCCONCNCCSCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43818 |
Area: | 476.516 |
Solvation: | -4.47472 |
Coulombic: | -32.564 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.62 |
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 |
---|