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Chemical ID: 5333103
Chemical ID:
5333103
Name [?]:
N-[4-phenyl-3-(p-tolyl)thiazol-2-yl]acetamide
SMILES [?]:
Cc1ccc(cc1)[n+]2c(csc2NC(=O)C)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-13-8-10-16(11-9-13)20-17(15-6-4-3-5-7-15)12-22-18(20)19-14(2)21/h3-12H,1-2H3/p+1
InChi Info:
AuxInfo=1/5/N:1,16,20,19,21,18,22,3,7,4,6,10,2,14,17,5,9,12,13,8,15,11/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCN+CCSCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s12;s13;d14;s14;s9;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N2OS+ |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -12.5371 |
Area: | 486.471 |
Solvation: | -24.6989 |
Coulombic: | -6.92042 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.95 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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