Chemical ID: 4152633

Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cc(cc3C)C)C)C
Chemical ID:
4152633
Name [?]:
2,4,6-trimethyl-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C21H22N2OS/c1-12-6-8-17(9-7-12)19-16(5)25-21(22-19)23-20(24)18-14(3)10-13(2)11-15(18)4/h6-11H,1-5H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,25,3,7,4,6,20,18,2,19,21,17,9,5,16,8,14,11,12,13,15,10/E:(3,4)(6,7)(8,9)(10,11)(14,15)/rA:25nCCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2744
Area:572.299
Solvation:-2.03311
Coulombic:-29.8094
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.478
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.43
LogP (Chemaxon):6.31

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