Chemical ID: 5414600

Cc1csc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
5414600
Name [?]:
2-(4-methylthiazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1csc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2OS2/c1-8-6-20-12(17-8)21-7-11(19)18-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,17,3,8,2,16,12,9,5,18,19,20,21,6,11,10,4,7/E:(14,15,16)/rA:21nCCCSCNSCCONCCCCCCCFFF/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F3N2OS2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.85644
Area:497.427
Solvation:-3.57923
Coulombic:-44.1343
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.92
LogP (Chemaxon):3.77

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Descriptor Annotations

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