Chemical ID: 5333103

Cc1ccc(cc1)[n+]2c(csc2NC(=O)C)c3ccccc3
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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