ChemDB: Chemical Search
Download
Chemical ID: 4596824
Chemical ID:
4596824
Name [?]:
N-acetyl-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CC(=O)N(c1nc(cs1)c2ccccc2)C(=O)C
InChi [?]:
InChI=1/C13H12N2O2S/c1-9(16)15(10(2)17)13-14-12(8-18-13)11-6-4-3-5-7-11/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,13,12,14,11,15,8,2,16,10,7,5,6,4,3,17,9/E:(1,2)(4,5)(6,7)(9,10)(16,17)/rA:18nCCONCNCCSCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s4;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35575 |
Area: | 424.46 |
Solvation: | -2.25576 |
Coulombic: | -30.9255 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.24 |
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 |
---|