Chemical ID: 5382181

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3nnc(s3)C(F)(F)F
Chemical ID:
5382181
Name [?]:
2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3nnc(s3)C(F)(F)F
InChi [?]:
InChI=1/C15H11F3N4OS3/c1-8-2-4-9(5-3-8)10-6-24-14(19-10)25-7-11(23)20-13-22-21-12(26-13)15(16,17)18/h2-6H,7H2,1H3,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,9,14,2,5,8,15,21,18,11,23,24,25,26,12,17,20,19,16,10,13,22/E:(2,3)(4,5)(16,17,18)/rA:26nCCCCCCCCCSCNSCCONCNNCSCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3N4OS3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.513
Area:600.572
Solvation:-4.50134
Coulombic:-49.5422
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.467
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):4.59

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Descriptor Annotations

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