Chemical ID: 7001710

c1ccc(c(c1)C(F)(F)F)NC2=NC(=O)C(=Cc3ccncc3)S2
Chemical ID:
7001710
Name [?]:
5-(4-pyridylmethylene)-2-[2-(trifluoromethyl)phenyl]amino-thiazol-4-one
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC2=NC(=O)C(=Cc3ccncc3)S2
InChi [?]:
InChI=1/C16H10F3N3OS/c17-16(18,19)11-3-1-2-4-12(11)21-15-22-14(23)13(24-15)9-10-5-7-20-8-6-10/h1-9H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,23,20,22,17,18,5,4,16,14,12,7,8,9,10,21,11,13,15,24/E:(5,6)(7,8)(17,18,19)/rA:24nCCCCCCCFFFNCNCOCCCCCNCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10F3N3OS
All Atoms:34
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.49812
Area:501.057
Solvation:-3.0283
Coulombic:-52.3372
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:349.331
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.03
LogP (Chemaxon):3.77

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