ChemDB: Chemical Search
Download
Chemical ID: 7350871
Chemical ID:
7350871
Name [?]:
2-chloro-N-[5-(p-tolylmethyl)thiazol-2-yl]-propanamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)C(C)Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-9-3-5-11(6-4-9)7-12-8-16-14(19-12)17-13(18)10(2)15/h3-6,8,10H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,3,7,4,6,8,10,2,17,5,9,15,12,19,11,14,16,13/E:(3,4)(5,6)/rA:19cCCCCCCCCCCNCSNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.25386 |
Area: | 498.729 |
Solvation: | -3.21436 |
Coulombic: | -26.5574 |
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: | 2.2 |
LogP (Chemaxon): | 3.91 |
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 |
---|