Chemical ID: 5638568

c1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
Chemical ID:
5638568
Name [?]:
N-(1-naphthyl)-4-phenyl-thiazol-2-amine
SMILES [?]:
c1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,15,22,3,5,16,19,14,8,17,4,18,13,7,10,12,11,9/E:(2,3)(8,9)/rA:22nCCCCCCCCSCNNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6788
Area:494.12
Solvation:-1.67418
Coulombic:-21.6282
Bond Count [?]
All:25
Single:15
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.394
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.34
LogP (Chemaxon):5.64

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