Chemical ID: 5603699

Cc1ccc(c(c1)C)C=NNc2nc(cs2)c3ccc(cc3)F
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue