Chemical ID: 5191138

Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)C
Chemical ID:
5191138
Name [?]:
5-methyl-N-[5-(m-tolylmethyl)thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)C
InChi [?]:
InChI=1/C17H16N2O2S/c1-11-4-3-5-13(8-11)9-14-10-18-17(22-14)19-16(20)15-7-6-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,19,18,7,8,10,2,20,6,9,17,15,12,11,14,16,21,13/rA:22nCCCCCCCCCCNCSNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2646
Area:528.849
Solvation:-2.95662
Coulombic:-35.7878
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.32
LogP (Chemaxon):3.47

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