ChemDB: Chemical Search
Download
Chemical ID: 5144266
Chemical ID:
5144266
Name [?]:
4-(4-ethoxyphenyl)-5-ethyl-thiazol-2-amine
SMILES [?]:
CCc1c(nc(s1)N)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C13H16N2OS/c1-3-11-12(15-13(14)17-11)9-5-7-10(8-6-9)16-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,10,14,11,13,9,12,3,4,6,8,5,15,7/E:(5,6)(7,8)/rA:17nCCCCNCSNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s4;s9;d10;s11;d12;d9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72199 |
Area: | 440.792 |
Solvation: | -2.2978 |
Coulombic: | -31.215 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.48 |
LogP (Chemaxon): | 3.16 |
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 |
---|