Chemical ID: 7364475

c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)N3C(=O)CSC3=N
Chemical ID:
7364475
Name [?]:
2-imino-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)N3C(=O)CSC3=N
InChi [?]:
InChI=1/C14H10F3N3OS2/c15-14(16,17)9-3-1-2-8(4-9)5-10-6-19-13(23-10)20-11(21)7-22-12(20)18/h1-4,6,18H,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,4,11,13,20,3,5,12,18,22,15,7,8,9,10,23,14,17,19,21,16/E:(15,16,17)/rA:23nCCCCCCCFFFCCCNCSNCOCSCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;s20;s17s21;w22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F3N3OS2
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.75123
Area:506.112
Solvation:-3.90156
Coulombic:-51.8608
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:357.376
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.28
LogP (Chemaxon):3.57

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