Chemical ID: 7255295

CCNc1nc(c(s1)C)c2ccc(cc2)OC(F)F
Chemical ID:
7255295
Name [?]:
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-thiazol-2-amine
SMILES [?]:
CCNc1nc(c(s1)C)c2ccc(cc2)OC(F)F
InChi [?]:
InChI=1/C13H14F2N2OS/c1-3-16-13-17-11(8(2)19-13)9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,2,11,15,12,14,7,10,13,6,17,4,18,19,3,5,16,8/E:(4,5)(6,7)(14,15)/rA:19nCCNCNCCSCCCCCCCOCFF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s6;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14F2N2OS
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.38292
Area:454.825
Solvation:-2.98769
Coulombic:-38.6344
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.326
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):3.9

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