ChemDB: Chemical Search
Download
Chemical ID: 6217610
Chemical ID:
6217610
Name [?]:
N-[4-(4-tert-butylphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C15H18N2OS/c1-10(18)16-14-17-13(9-19-14)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,11,15,12,14,8,2,10,13,7,5,16,4,6,3,9/E:(2,3,4)(5,6)(7,8)/rA:19nCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41012 |
Area: | 472.659 |
Solvation: | -2.40635 |
Coulombic: | -26.8716 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.34 |
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 |
---|