ChemDB: Chemical Search
Download
Chemical ID: 6266865
Chemical ID:
6266865
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C16H20N2O2S/c1-5-20-13-8-6-12(7-9-13)14-11(4)21-16(17-14)18-15(19)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,2,6,8,5,9,18,11,7,4,10,16,13,14,15,17,3,12/E:(2,3)(6,7)(8,9)/rA:21nCCOCCCCCCCCSCNNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55481 |
Area: | 516.686 |
Solvation: | -3.36235 |
Coulombic: | -34.1755 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.99 |
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 |
---|