ChemDB: Chemical Search
Download
Chemical ID: 7267932
Chemical ID:
7267932
Name [?]:
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-thiazol-2-amine
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC3CCCCC3
InChi [?]:
InChI=1/C17H22N2O2S/c1-20-13-8-9-14(16(10-13)21-2)15-11-22-17(19-15)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,4,5,8,12,17,3,6,11,7,14,16,15,2,9,13/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCCSCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2S |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62822 |
Area: | 520.092 |
Solvation: | -4.37408 |
Coulombic: | -32.2048 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.04 |
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 |
---|