Chemical ID: 5816253

c1ccc(cc1)C2=NC(=O)C(N2)(C(F)(F)F)Nc3nccs3
Chemical ID:
5816253
Name [?]:
2-phenyl-5-thiazol-2-ylamino-5-(trifluoromethyl)-1H-imidazol-4-one
SMILES [?]:
c1ccc(cc1)C2=NC(=O)C(N2)(C(F)(F)F)Nc3nccs3
InChi [?]:
InChI=1/C13H9F3N4OS/c14-13(15,16)12(20-11-17-6-7-22-11)10(21)18-9(19-12)8-4-2-1-3-5-8/h1-7H,(H,17,20)(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,21,4,7,9,18,11,13,14,15,16,19,8,12,17,10,22/E:(2,3)(4,5)(14,15,16)/rA:22cCCCCCCCNCOCNCFFFNCNCCS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s7s11;s11;s13;s13;s13;s11;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9F3N4OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.49421
Area:460.095
Solvation:-3.00816
Coulombic:-66.8181
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.298
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):3.8

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