ChemDB: Chemical Search
Download
Chemical ID: 6218182
Chemical ID:
6218182
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-11(19-14)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,12,9,2,13,10,18,4,7,19,8,6,5,11/E:(1,2)/rA:19nCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09946 |
Area: | 479.816 |
Solvation: | -2.89595 |
Coulombic: | -26.6849 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 4.02 |
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 |
---|