ChemDB: Chemical Search
Download
Chemical ID: 4153153
Chemical ID:
4153153
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)C
InChi [?]:
InChI=1/C13H14N2O2S/c1-3-17-11-6-4-10(5-7-11)12-8-18-13(15-12)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,8,5,9,11,16,7,4,10,13,15,14,17,3,12/E:(4,5)(6,7)/rA:18nCCOCCCCCCCCSCNNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7684 |
Area: | 457.296 |
Solvation: | -3.66401 |
Coulombic: | -32.6256 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.81 |
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 |
---|