ChemDB: Chemical Search
Download
Chemical ID: 5603699
Chemical ID:
5603699
Name [?]:
N-[(2,4-dimethylphenyl)methyleneamino]-4-(4-fluorophenyl)-thiazol-2-amine
SMILES [?]:
Cc1ccc(c(c1)C)C=NNc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H16FN3S/c1-12-3-4-15(13(2)9-12)10-20-22-18-21-17(11-23-18)14-5-7-16(19)8-6-14/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,18,22,19,21,7,9,15,2,6,17,5,20,14,12,23,10,13,11,16/E:(5,6)(7,8)/rA:23nCCCCCCCCCNNCNCCSCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FN3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4305 |
Area: | 532.546 |
Solvation: | -2.88312 |
Coulombic: | -21.8877 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.21 |
LogP (Chemaxon): | 6.22 |
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 |
---|