Chemical ID: 5940052

Cc1ccccc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)C
Chemical ID:
5940052
Name [?]:
2,2-dimethyl-N-[3-[2-(o-tolylamino)thiazol-4-yl]phenyl]-propanamide
SMILES [?]:
Cc1ccccc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C21H23N3OS/c1-14-8-5-6-11-17(14)23-20-24-18(13-26-20)15-9-7-10-16(12-15)22-19(25)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,4,5,16,3,15,17,6,19,12,2,14,18,7,11,21,9,23,20,8,10,22,13/E:(2,3,4)/rA:26nCCCCCCCNCNCCSCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9073
Area:589.753
Solvation:-2.83652
Coulombic:-39.8268
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.493
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):6.29

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