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Chemical ID: 7364475
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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