Chemical ID: 7027149

Cc1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Cl
Chemical ID:
7027149
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-4-(p-tolyl)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H14ClN3S/c1-12-5-7-14(8-6-12)16-11-22-17(20-16)21-19-10-13-3-2-4-15(18)9-13/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,7,4,6,21,15,9,2,16,5,20,8,11,22,14,12,13,10/E:(5,6)(7,8)/rA:22nCCCCCCCCCSCNNNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3S
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.611
Area:552.903
Solvation:-2.21162
Coulombic:-19.1364
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.832
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.24
LogP (Chemaxon):6.13

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