ChemDB: Chemical Search
Download
Chemical ID: 4287822
Chemical ID:
4287822
Name [?]:
N-[1-(4-chlorophenyl)ethylideneamino]-4-(p-tolyl)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NN=C(C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H16ClN3S/c1-12-3-5-15(6-4-12)17-11-23-18(20-17)22-21-13(2)14-7-9-16(19)10-8-14/h3-11H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,3,7,4,6,18,22,19,21,9,2,15,17,5,20,8,11,23,12,14,13,10/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCSCNNNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0614 |
Area: | 567.376 |
Solvation: | -2.12306 |
Coulombic: | -19.1161 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.859 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.38 |
LogP (Chemaxon): | 5.77 |
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 |
---|