ChemDB: Chemical Search
Download
Chemical ID: 3987902
Chemical ID:
3987902
Name [?]:
N-[2-(1-cyclohexenyl)ethyl]-2-(3-piperidyl)thiazole-4-carboxamide
SMILES [?]:
c1c(nc(s1)C2CCCNC2)C(=O)NCCC3=CCCCC3
InChi [?]:
InChI=1/C17H25N3OS/c21-16(19-10-8-13-5-2-1-3-6-13)15-12-22-17(20-15)14-7-4-9-18-11-14/h5,12,14,18H,1-4,6-11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,8,18,22,7,16,9,15,11,1,17,6,2,12,4,10,14,3,13,5/rA:22cCCNCSCCCCNCCONCCCCCCCC/rB:d1;s2;d3;s1s4;s4;s6;s7;s8;s9;s6s10;s2;d12;s12;s14;s15;s16;d17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9282 |
Area: | 547.409 |
Solvation: | -1.75707 |
Coulombic: | -38.5201 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.69 |
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 |
---|