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Chemical ID: 5638568
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
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Experimental Annotations
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Descriptor Annotations
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