Chemical ID: 6616973

Cc1c(nc(s1)NC(=O)c2ccccc2)c3ccc(cc3)F
Chemical ID:
6616973
Name [?]:
N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccccc2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H13FN2OS/c1-11-15(12-7-9-14(18)10-8-12)19-17(22-11)20-16(21)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,17,21,18,20,2,16,10,19,3,8,5,22,4,7,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCNCSNCOCCCCCCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s3;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.52867
Area:501.092
Solvation:-2.99862
Coulombic:-33.2232
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.362
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.84
LogP (Chemaxon):4.58

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